Scopus EXPORT DATE: 15 January 2024 Rok M., Zarychta B., Trojan-Piegza J., Bil A., Piecha-Bisiorek A., Zarȩba J.K., Medycki W., Jakubas R. AUTHOR FULL NAMES: Rok, Magdalena (56001747700); Zarychta, Bartosz (8358289000); Trojan-Piegza, Joanna (6507750199); Bil, Andrzej (6507745710); Piecha-Bisiorek, Anna (10539543000); Zarȩba, Jan K. (55882042000); Medycki, Wojciech (7003514165); Jakubas, Ryszard (7005059138) 56001747700; 8358289000; 6507750199; 6507745710; 10539543000; 55882042000; 7003514165; 7005059138 A one-dimensional perovskite with ferroelectric and switchable nonlinear optical properties: [azetidinium]CdCl3 (2022) Journal of Materials Chemistry C, 10 (8), pp. 3036 - 3047, Cited 15 times. DOI: 10.1039/d1tc05355h https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125739522&doi=10.1039%2fd1tc05355h&partnerID=40&md5=9ce333a648993c8442bfa6ee9bc08869 AFFILIATIONS: Faculty of Chemistry, University of Wroclaw, 14 F. Joliot-Curie, Wroclaw, 50-383, Poland; Faculty of Chemistry, University of Opole, Oleska 48, Opole, 45-052, Poland; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, Poznań, 60-179, Poland ABSTRACT: Organic-inorganic perovskite hybrids (OIPHs) have been a topical area of interest in recent years. This stems from their key features such as facile and inexpensive solution based synthesis, high mechanical flexibility, structural tuneability, and chemical diversity, to name a few. Additionally, the frequently observed emergence of ferroelectric or piezoelectric properties along with optical properties renders them promising for photovoltaic energy conversion or mechanical energy harvesting applications. Herein, we report the synthesis of a novel ABX3-type ferroelectric crystal AZECdCl3 of formula [C3H8N]CdCl3, forming an infinite one-dimensional [{CdCl3}-]n chain along the c direction, with azetidinium (AZE) cations C3H8N+ fitted in-between the inorganic chains. Calorimetric (DSC) measurements revealed that the crystal undergoes a complex sequence of phase transitions, at 495 K (discontinuous I → II), 202 K (continuous II → III) and 167K (discontinuous III → IV). AZECdCl3 is characterised by a strongly enhanced electric permittivity around the paraelectric-ferroelectric transition at 202 K, exhibiting excellent ferroelectric hysteresis loops with a spontaneous polarization (Ps) of 4 μC cm-2 (168 K) and with a relatively small coercive electric field (Ec) of 1.02 kV cm-1. The crystal exhibits also ferroelastic properties over all low temperature phases. The experimental value of Ps agrees with theoretical predictions based on density functional theory-based calculations. The temperature-resolved second-harmonic generation (SHG) measurements attest to the polar order of this phase. First-order phase transition IV ↔ III was demonstrated to feature robust, high contrast SHG-off-SHG-on switching functionality. The broadband luminescence reveals thermal quenching when going from cryogenic temperatures to room temperature. The emission was assigned to the synergistic emissions of excitons due to the structural deformation of the lattice. © The Royal Society of Chemistry. INDEX KEYWORDS: Chlorine compounds; Density functional theory; Electric fields; Energy harvesting; Ferroelectric materials; Ferroelectricity; Harmonic generation; Nonlinear optics; Optical properties; organic-inorganic materials; Temperature; Area of interest; Harmonics generation; Key feature; Mechanical flexibility; Nonlinear optical properties; One-dimensional; Organic/inorganic; Second harmonics; Switchable; Tuneability; Perovskite CORRESPONDENCE ADDRESS: M. Rok; Faculty of Chemistry, University of Wroclaw, Wroclaw, 14 F. Joliot-Curie, 50-383, Poland; email: magdalena.rok@chem.uni.wroc.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Vijayakanth T., Sahoo S., Kothavade P., Bhan Sharma V., Kabra D., Zaręba J.K., Shanmuganathan K., Boomishankar R. AUTHOR FULL NAMES: Vijayakanth, Thangavel (55270324900); Sahoo, Supriya (57327837500); Kothavade, Premkumar (57220051689); Bhan Sharma, Vijay (58001854800); Kabra, Dinesh (9740734300); Zaręba, Jan K. (55882042000); Shanmuganathan, Kadhiravan (24073270900); Boomishankar, Ramamoorthy (6508131775) 55270324900; 57327837500; 57220051689; 58001854800; 9740734300; 55882042000; 24073270900; 6508131775 A Ferroelectric Aminophosphonium Cyanoferrate with a Large Electrostrictive Coefficient as a Piezoelectric Nanogenerator (2023) Angewandte Chemie - International Edition, 62 (3), art. no. e202214984, Cited 3 times. DOI: 10.1002/anie.202214984 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85143824212&doi=10.1002%2fanie.202214984&partnerID=40&md5=e32adeaac8f3f4c895395e9ca35f9c0f AFFILIATIONS: Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Dr. Homi Bhabha Road, Pune, 411008, India; Polymer Science and Engineering Division and Academy of Scientific and Innovative Research, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune, 411008, India; Department of Physics, Indian Institute of Technology, Mumbai, 400076, India; Institute of Advanced Materials, Wrocław University of Science and Technology, Wrocław, 50-370, Poland; The Shmunis School of Biomedicine and Cancer Research, George S. Wise, Faculty of Life Sciences, Tel Aviv University, Tel Aviv, 6997801, Israel ABSTRACT: Hybrid materials possessing piezo- and ferroelectric properties emerge as excellent alternatives to conventional piezoceramics due to their merits of facile synthesis, lightweight nature, ease of fabrication and mechanical flexibility. Inspired by the structural stability of aminophosphonium compounds, here we report the first A3BX6 type cyanometallate [Ph2(iPrNH)2P]3[Fe(CN)6] (1), which shows a ferroelectric saturation polarization (Ps) of 3.71 μC cm−2. Compound 1 exhibits a high electrostrictive coefficient (Q33) of 0.73 m4 C−2, far exceeding those of piezoceramics (0.034–0.096 m4 C−2). Piezoresponse force microscopy (PFM) analysis demonstrates the polarization switching and domain structure of 1 further confirming its ferroelectric nature. Furthermore, thermoplastic polyurethane (TPU) polymer composite films of 1 were prepared and employed as piezoelectric nanogenerators. Notably, the 15 wt % 1-TPU device gave a maximum output voltage of 13.57 V and a power density of 6.03 μW cm−2. © 2022 Wiley-VCH GmbH. AUTHOR KEYWORDS: Cyanometallates; Energy Conversion; H-Bonding; Hybrid Composites; Phosphorus INDEX KEYWORDS: Ferroelectric materials; Ferroelectricity; Hybrid materials; Nanogenerators; Phosphorus; Polarization; Polymer films; Scanning probe microscopy; Stability; Cyanoferrates; Cyanometallate; Electrostrictive coefficients; Ferroelectric property; H-bonding; Hybrid composites; Hybrids material; Piezo-ceramics; Piezoelectric nanogenerator; Thermoplastic polyurethanes; Piezoelectricity FUNDING DETAILS: CSIR-NCL FUNDING DETAILS: Science and Technology Award for Research, STR/2021/000016 FUNDING DETAILS: Council of Scientific and Industrial Research, India, CSIR FUNDING DETAILS: University Grants Commission, UGC FUNDING DETAILS: Science and Engineering Research Board, SERB, CRG/2019/004615 FUNDING TEXT 1: This work was supported by SERB, India, via Grant No. CRG/2019/004615 (R.B.). R.B. thanks SERB, India for the Science and Technology Award for Research (STAR) via Grant No. STR/2021/000016. S.S. thanks to UGC, India for the fellowship. P.K. thanks, CSIR, India for the fellowship. The authors would like to acknowledge Mr. Arun Torris, CSIR‐NCL, for help with X‐ray tomography experiments and Priyangi Kulkarni and Prashant Dixit ARDE‐Pune for piezoelectric coefficient measurements. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. FUNDING TEXT 2: This work was supported by SERB, India, via Grant No. CRG/2019/004615 (R.B.). R.B. thanks SERB, India for the Science and Technology Award for Research (STAR) via Grant No. STR/2021/000016. S.S. thanks to UGC, India for the fellowship. P.K. thanks, CSIR, India for the fellowship. The authors would like to acknowledge Mr. Arun Torris, CSIR-NCL, for help with X-ray tomography experiments and Priyangi Kulkarni and Prashant Dixit ARDE-Pune for piezoelectric coefficient measurements. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: R. Boomishankar; Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Pune, Dr. Homi Bhabha Road, 411008, India; email: boomi@iiserpune.ac.in; K. Shanmuganathan; Polymer Science and Engineering Division and Academy of Scientific and Innovative Research, CSIR-National Chemical Laboratory, Pune, Dr. Homi Bhabha Road, 411008, India; email: k.shanmuganathan@ncl.res.in; D. Kabra; Department of Physics, Indian Institute of Technology, Mumbai, 400076, India; email: dkabra@phy.iitb.ac.in; J.K. Zaręba; Institute of Advanced Materials, Wrocław University of Science and Technology, Wrocław, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: John Wiley and Sons Inc ISSN: 14337851 CODEN: ACIEF PUBMED ID: 36408916 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Angew. Chem. Int. Ed. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Deswal S., Panday R., Naphade D.R., Dixit P., Praveenkumar B., Zaręba J.K., Anthopoulos T.D., Ogale S., Boomishankar R. AUTHOR FULL NAMES: Deswal, Swati (57103107800); Panday, Rishukumar (57643471600); Naphade, Dipti R. (57212476422); Dixit, Prashant (57204682733); Praveenkumar, Balu (8914756000); Zaręba, Jan K. (55882042000); Anthopoulos, Thomas D. (6701337286); Ogale, Satishchandra (55157007700); Boomishankar, Ramamoorthy (6508131775) 57103107800; 57643471600; 57212476422; 57204682733; 8914756000; 55882042000; 6701337286; 55157007700; 6508131775 Efficient Piezoelectric Energy Harvesting from a Discrete Hybrid Bismuth Bromide Ferroelectric Templated by Phosphonium Cation (2022) Chemistry - A European Journal, 28 (33), art. no. e202200751, Cited 6 times. DOI: 10.1002/chem.202200751 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85128962591&doi=10.1002%2fchem.202200751&partnerID=40&md5=b8dbf3fc6251b5e5477d365caa61cbcb AFFILIATIONS: Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Dr. Homi Bhabha Road, Pune, 411008, India; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), Thuwal, 23955-6900, Saudi Arabia; PZT Centre, Armament Research and Development Establishment, Dr. Homi Bhabha Road, Pune, 411021, India; Advanced Materials Engineering and Modeling Group, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, Wroclaw, 50-370, Poland; Department of Physics and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Dr. Homi Bhabha Road, Pune, 411008, India; Research Institute for Sustainable Energy (RISE), TCG Centres for Research and Education in Science and Technology (TCG-CREST), Salt Lake, Kolkata, 700091, India ABSTRACT: Bismuth containing hybrid molecular ferroelectrics are receiving tremendous attention in recent years owing to their stable and non-toxic composition. However, these perovskite-like structures are primarily limited to ammonium cations. Herein, we report a new phosphonium based discrete perovskite-like hybrid ferroelectric with a formula [Me(Ph)3P]3[Bi2Br9] (MTPBB) and its mechanical energy harvesting capability. The Polarization-Electric field (P-E) measurements resulted in a well-defined ferroelectric hysteresis loop with a remnant polarization value of 2.1 μC cm−2. Piezoresponse force microscopy experiments enabled visualization of the ferroelectric domain structure and evaluation of the piezoelectric strain coefficient (d33) for an MTPBB single crystal and thin film sample. Furthermore, flexible devices incorporating MTPBB in polydimethylsiloxane (PDMS) matrix at various concentrations were fabricated and explored for their mechanical energy harvesting properties. The champion device with 20 wt % of MTPBB in PDMS rendered a maximum peak-to-peak open-circuit voltage of 22.9 V and a maximum power density of 7 μW cm−2 at an optimal load of 4 MΩ. Moreover, the potential of MTPBB-based devices in low power electronics was demonstrated by storing the harvested energy in various electrolytic capacitors. © 2022 Wiley-VCH GmbH. AUTHOR KEYWORDS: capacitor charging; energy conversion; ferroelectricity; hybrid perovskitoid; polymer composites INDEX KEYWORDS: Bismuth compounds; Crystal structure; Ferroelectric materials; Ferroelectricity; Microchannels; Open circuit voltage; Perovskite; Perovskite solar cells; Piezoelectricity; Polarization; Polydimethylsiloxane; Positive ions; Scanning probe microscopy; Silicones; Single crystals; Ammonium cations; Capacitor charging; Hybrid perovskitoid; Mechanical energies; Non-toxic; Perovskite like structure; Phosphonium cations; Piezoelectric energy harvesting; Polymer composite; Templated; Energy harvesting FUNDING DETAILS: Academia Iuvenum FUNDING DETAILS: Innoplexus Consulting Services Pvt Ltd FUNDING DETAILS: KAUST Solar Centre FUNDING DETAILS: Nanomission Project FUNDING DETAILS: Science and Technology Award for Research, STR/2021/000016 FUNDING DETAILS: UK-India FUNDING DETAILS: Department of Science and Technology, Ministry of Science and Technology, India, डीएसटी, SR/NM/TP‐13/2016 FUNDING DETAILS: Science and Engineering Research Board, SERB, CRG/2019/004615 FUNDING DETAILS: King Abdullah University of Science and Technology, KAUST FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: This work was supported by SERB, India via Grant No. CRG/2019/004615 (R.B.), Nanomission Project, DST, India via Grant No. SR/NM/TP-13/2016 (S.B.O. and R.B.). R.B. thanks SERB for the Science and Technology Award for Research (STAR) via Grant No. STR/2021/000016. S.D. acknowledges support from Innoplexus Consulting Services Pvt Ltd and Scivic Engineering Pvt Ltd for a student fellowship. S.B.O. acknowledges the funding from the UK-India SUNRISE program. T.D.A. and D.R.N. are grateful to King Abdullah University of Science and Technology (KAUST) and KAUST Solar Centre (KSC) for the financial support. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. FUNDING TEXT 2: This work was supported by SERB, India via Grant No. CRG/2019/004615 (R.B.), Nanomission Project, DST, India via Grant No. SR/NM/TP‐13/2016 (S.B.O. and R.B.). R.B. thanks SERB for the Science and Technology Award for Research (STAR) via Grant No. STR/2021/000016. S.D. acknowledges support from Innoplexus Consulting Services Pvt Ltd and Scivic Engineering Pvt Ltd for a student fellowship. S.B.O. acknowledges the funding from the UK‐India SUNRISE program. T.D.A. and D.R.N. are grateful to King Abdullah University of Science and Technology (KAUST) and KAUST Solar Centre (KSC) for the financial support. J.K.Z. acknowledges support from , Wroclaw University of Science and Technology. Academia Iuvenum CORRESPONDENCE ADDRESS: R. Boomishankar; Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Pune, Dr. Homi Bhabha Road, 411008, India; email: boomi@iiserpune.ac.in; T.D. Anthopoulos; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), Thuwal, 23955-6900, Saudi Arabia; email: thomas.anthopoulos@kaust.edu.sa; B. Praveenkumar; PZT Centre, Armament Research and Development Establishment, Pune, Dr. Homi Bhabha Road, 411021, India; email: praveenkumar@arde.drdo.in; J.K. Zaręba; Advanced Materials Engineering and Modeling Group, Wroclaw University of Science and Technology, Wroclaw, Wybrzeze Wyspianskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl; S. Ogale; Department of Physics and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Pune, Dr. Homi Bhabha Road, 411008, India; email: satishogale@iiserpune.ac.in PUBLISHER: John Wiley and Sons Inc ISSN: 09476539 CODEN: CEUJE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Eur. J. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Burger S., Kronawitter S., Boström H.L.B., Zarȩba J.K., Kieslich G. AUTHOR FULL NAMES: Burger, Stefan (57204650630); Kronawitter, Silva (57218504989); Boström, Hanna L. B. (57190731109); Zarȩba, Jan K. (55882042000); Kieslich, Gregor (44461715800) 57204650630; 57218504989; 57190731109; 55882042000; 44461715800 A new polar perovskite coordination network with azaspiroundecane as A-site cation (2020) Dalton Transactions, 49 (31), pp. 10740 - 10744, Cited 4 times. DOI: 10.1039/d0dt01968b https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089358806&doi=10.1039%2fd0dt01968b&partnerID=40&md5=bb7c6822349b5a961c1fec0cd601a0e0 AFFILIATIONS: Technical University of Munich, Department of Chemistry, Lichtenbergstraße 4, Garching, 85748, Germany; Department of Inorganic Chemistry, Ångström Laboratory, Uppsala Universitet, Box 538, Uppsala, 751 21, Sweden; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: ABX3 perovskite coordination networks are a rapidly growing sub-class of crystalline coordination networks. At present, synthetic efforts in the field are dominated by the use of commercially available building blocks, leaving the potential for tuning properties via targeted compositional changes largely untouched. Here we apply a rational crystal engineering approach, using 6-azaspiro[5.5]undecane ([ASU]+) as A-site cation for the synthesis of the polar perovskite [ASU][Cd(C2N3)3]. This journal is © The Royal Society of Chemistry. INDEX KEYWORDS: Positive ions; A-site cations; Building blockes; Compositional changes; Coordination networks; Sub class; Tuning properties; Perovskite FUNDING DETAILS: Hanns-Seidel-foundation FUNDING DETAILS: Polish National Science Centre, DEC-2013/10/A/ST4/00114 FUNDING DETAILS: Verband der Chemischen Industrie, VCI FUNDING DETAILS: Bundesministerium für Bildung und Forschung, BMBF FUNDING TEXT 1: SB acknowledges the Hanns-Seidel-foundation through a BMBF initiative for financial support. GK would like to thank the ‘Fonds der Chemischen Industrie’ for support through the Liebig Fellowship scheme. JKZ acknowledges financial support from the Polish National Science Centre under “Maestro” DEC-2013/10/A/ST4/00114 grant. CORRESPONDENCE ADDRESS: G. Kieslich; Technical University of Munich, Department of Chemistry, Garching, Lichtenbergstraße 4, 85748, Germany; email: Gregor.Kieslich@tum.de PUBLISHER: Royal Society of Chemistry ISSN: 14779226 CODEN: DTARA PUBMED ID: 32747889 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Dalton Trans. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Prywer J., Delmonte D., Solzi M., Cugini F., Roleder K., Soszyński A., Ciżman A., Zarȩba J.K. AUTHOR FULL NAMES: Prywer, Jolanta (56122070200); Delmonte, Davide (26422914600); Solzi, Massimo (7004559481); Cugini, Francesco (55366480700); Roleder, Krystian (6603945641); Soszyński, Andrzej (8307799300); Ciżman, Agnieszka (8502904600); Zarȩba, Jan K. (55882042000) 56122070200; 26422914600; 7004559481; 55366480700; 6603945641; 8307799300; 8502904600; 55882042000 First Experimental Evidences of the Ferroelectric Nature of Struvite (2020) Crystal Growth and Design, 20 (7), pp. 4454 - 4460, Cited 7 times. DOI: 10.1021/acs.cgd.0c00260 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85087630990&doi=10.1021%2facs.cgd.0c00260&partnerID=40&md5=e59943e3e887bb2f2def8ce2802ec11c AFFILIATIONS: Institute of Physics, Lodz University of Technology, Wólczańska 219, Łódź, 90-924, Poland; Institute of Materials for Electronics and Magnetism (IMEM), Cnr, Parco Area delle Scienze 37/A, Parma, Italy; Department of Mathematical Physical and Computer Sciences, University of Parma, Parco Area delle Scienze 7/A, Parma, Italy; Institute of Physics, University of Silesia, 75 Pułku Piechoty 1, Chorzów, 41-500, Poland; Department of Experimental Physics, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wroclaw, 50-370, Poland; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wroclaw, 50-370, Poland ABSTRACT: Struvite (MgNH4PO4·6H2O) is a mineral first identified in 1845. It is tested for several reasons: (1) it is a problem in liquid wastewater treatment plants; (2) on the other hand, it is recovered from this wastewater because of phosphorus, magnesium, and nitrogen; (3) it is the main component of infectious urinary stones. In this paper, we present the first experimental evidences of the ferroelectric nature of struvite at room temperature. Struvite shows a hysteresis loop and spontaneous electric polarization that can be reversed by an application of an external electric field. The measured value of residual polarization of struvite is equal to 0.95 μC/cm2. We also report observations of the ferroelectric domains in struvite using birefringence imaging technique. The non-centrosymmetry of the crystal lattice is confirmed with the use of the Kurtz-Perry powder test. The second harmonic generation response for struvite in relation to that of potassium dihydrogen phosphate is 0.36. We suggest that ferroelectric properties for struvite, in particular, spontaneous polarization, can have a significant impact on the behavior of struvite in aqueous solutions, such as liquid wastewater or urine. © 2020 American Chemical Society. INDEX KEYWORDS: Electric fields; Imaging techniques; Nonlinear optics; Polarization; Potassium compounds; Wastewater treatment; Birefringence imaging; Electric polarization; External electric field; Ferroelectric property; Potassium dihydrogen phosphate; Residual polarization; Spontaneous polarizations; Wastewater treatment plants; Ferroelectricity FUNDING DETAILS: Ministry of Science and Higher Education (Poland) FUNDING DETAILS: Ministerstwo Nauki i Szkolnictwa Wyższego, MNiSW, I-71/501/7-71-1-1 FUNDING TEXT 1: This work was supported by the Ministry of Science and Higher Education (Poland), Grant No. I-71/501/7-71-1-1. FUNDING TEXT 2: This work was supported by the Ministry of Science and Higher Education (Poland) Grant No. I-71/501/7-71-1-1. CORRESPONDENCE ADDRESS: J. Prywer; Institute of Physics, Lodz University of Technology, Łódź, Wólczańska 219, 90-924, Poland; email: jolanta.prywer@p.lodz.pl PUBLISHER: American Chemical Society ISSN: 15287483 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Zareba J.K., Nyk M., Janczak J., Samoć M. AUTHOR FULL NAMES: Zareba, Jan K. (55882042000); Nyk, Marcin (8415115800); Janczak, Jan (7005182041); Samoć, Marek (7006335493) 55882042000; 8415115800; 7005182041; 7006335493 Three-Photon Absorption of Coordination Polymer Transforms UV-to-VIS Thermometry into NIR-to-VIS Thermometry (2019) ACS Applied Materials and Interfaces, 11 (11), pp. 10435 - 10441, Cited 47 times. DOI: 10.1021/acsami.8b21937 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85063236459&doi=10.1021%2facsami.8b21937&partnerID=40&md5=a0a097dd192b91c1188f83fa819daf2e AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, 50950, Poland ABSTRACT: Lanthanide-based metal-organic frameworks (MOFs) and coordination polymers (CPs) attract much attention as candidates for optical ratiometric thermometry applications. Thus far, excitation of these materials was mainly performed in the ultraviolet that drastically limits their applicability as sensors, e.g., in tissue biological thermometry. As a remedy for this constraint, for the first time, we leverage a nonlinear optical process, the three-photon absorption property of Eu,Tb-CPs to shift the excitation wavelength from ultraviolet into near-infrared region. Experiments demonstrate that three-photon induced thermometric responses of Eu,Tb-CPs follow excellent optical characteristics similar to those determined for one-photon excitation, yet are not identical. The relative sensitivity reaches a very high value of 2.91%K -1 in the physiological temperature region. We put forward a notion that utilizing multiphoton absorption is a general strategy for realizing NIR-to-VIS remote temperature sensing in practically any CP that is designed for UV-to-VIS thermometry. © 2019 American Chemical Society. AUTHOR KEYWORDS: antenna effect; energy transfer phenomena; energy up-conversion thermometry; europium; nonlinear optical thermometry; terbium INDEX KEYWORDS: Biological materials; Crystalline materials; Energy transfer; Europium; Infrared devices; Light absorption; Multiphoton processes; Nonlinear optics; Organic polymers; Organometallics; Photons; Terbium; Thermometers; Antenna effects; Metalorganic frameworks (MOFs); Non-linear optical; Nonlinear optical process; Optical characteristics; Physiological temperature; Remote temperature sensing; Up conversion; Temperature sensors FUNDING DETAILS: Polish National Science Centre, DEC-2013/10/A/ST4/ 00114 FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING TEXT 1: We acknowledge financial support from the Polish National Science Centre under “Maestro” DEC-2013/10/A/ST4/ 00114 grant and the Faculty of Chemistry, Wrocław University of Science and Technology. JKZ is supported by the Foundation for Polish Science (FNP). We thank Dr. B. Cichy for quantum yield measurements. CORRESPONDENCE ADDRESS: J.K. Zareba; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wrocław, Wyb. Wyspiańskiego 27, 50370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: American Chemical Society ISSN: 19448244 PUBMED ID: 30838852 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: ACS Appl. Mater. Interfaces DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Burger S., Hemmer K., Mayer D.C., Vervoorts P., Daisenberger D., Zaręba J.K., Kieslich G. AUTHOR FULL NAMES: Burger, Stefan (57204650630); Hemmer, Karina (57211788276); Mayer, David C. (56688140800); Vervoorts, Pia (57201199905); Daisenberger, Dominik (8932108700); Zaręba, Jan K. (55882042000); Kieslich, Gregor (44461715800) 57204650630; 57211788276; 56688140800; 57201199905; 8932108700; 55882042000; 44461715800 Designing Geometric Degrees of Freedom in ReO3-Type Coordination Polymers (2022) Advanced Functional Materials, 32 (44), art. no. 2205343, Cited 1 times. DOI: 10.1002/adfm.202205343 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85135594563&doi=10.1002%2fadfm.202205343&partnerID=40&md5=321c646758cdfdb59bfbd6a3d334f930 AFFILIATIONS: Department of Chemistry, Technical University of Munich, Lichtenbergstrasse 4, Garching, 85748, Germany; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 ODE, United Kingdom; Institute of Advanced Materials, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Engineering the interplay of structural degrees of freedom that couple to external stimuli such as temperature and pressure is a powerful approach for material design. New structural degrees of freedom expand the potential of the concept, and coordination polymers as a chemically versatile material platform offer fascinating possibilities to address this challenge. Here, we report a new class of perovskite-like AB2X6 coordination polymers based on a [BX3] − ReO3-type host network ([Mn(C2N3)3] −), in which the spatial orientation of divalent A2+ cations ([R3N(CH2)nNR3]2+) with separated charge centers that bridge adjacent ReO3-cavities is introduced as a new geometric degree of freedom. Herringbone and head-to-tail order pattern of [R3N(CH2)nNR3]2+ cations are obtained by varying the separator length n and, together with distortions of the pseudocubic [BX3] − network, they determine the materials’ stimuli-responsive behavior such as counterintuitive large negative compressibility and uniaxial negative thermal expansion. This new family of coordination polymers highlights the chemists’ capabilities of designing matter on a molecular level to address macroscopic material functionality and underpins the opportunities of the design of structural degrees of freedom as a conceptual framework for rational material synthesis in the future. © 2022 The Authors. Advanced Functional Materials published by Wiley-VCH GmbH. AUTHOR KEYWORDS: coordination polymers; materials chemistry; negative linear compressibility; structural degrees of freedom; uniaxial negative thermal expansion INDEX KEYWORDS: Buoyancy; Compressibility; Coordination reactions; Degrees of freedom (mechanics); Functional materials; Perovskite; Positive ions; Synthesis (chemical); Thermal expansion; Coordination Polymers; Coordination-polymers; External stimulus; Geometric degree; Linear compressibilities; Material chemistry; Negative linear compressibility; Structural degree of freedom; Temperature and pressures; Uniaxial negative thermal expansion; Negative thermal expansion FUNDING DETAILS: Hanns–Seidel-Foundation FUNDING DETAILS: Hanns–Seidel‐Foundation FUNDING DETAILS: Verband der Chemischen Industrie, VCI FUNDING DETAILS: Diamond Light Source FUNDING DETAILS: Deutsches Elektronen-Synchrotron, DESY FUNDING DETAILS: Helmholtz Association, I-20191507 FUNDING TEXT 1: S.B. would like to thank the Hanns–Seidel-Foundation for financial support through a Ph.D. fellowship. G.K. would like to thank the “Fonds der Chemischen Industrie” for support through the Liebig Fellowship scheme. K.H. thanks the “Fonds der Chemischen Industrie” for a Ph.D. fellowship. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. The authors would like to acknowledge beamtime at the Diamond Light Source Ltd., UK (experiment CY22477-2, beamline I15). The authors acknowledge DESY (Hamburg, Germany), a member of the Helmholtz Association HGF, for the provision of experimental facilities. Parts of this research were carried out at PETRA III (experiment I-20191507) and the authors would like to thank Martin Etter and Alexander Schökel for assistance in using beamline P02.1 for data collection. Additionally, the measurements at DESY leading to this results has been supported with travel reimbursement from DESY, for which the authors are grateful. Open access funding enabled and organized by Projekt DEAL. FUNDING TEXT 2: S.B. would like to thank the Hanns–Seidel‐Foundation for financial support through a Ph.D. fellowship. G.K. would like to thank the “Fonds der Chemischen Industrie” for support through the Liebig Fellowship scheme. K.H. thanks the “Fonds der Chemischen Industrie” for a Ph.D. fellowship. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. The authors would like to acknowledge beamtime at the Diamond Light Source Ltd., UK (experiment CY22477‐2, beamline I15). The authors acknowledge DESY (Hamburg, Germany), a member of the Helmholtz Association HGF, for the provision of experimental facilities. Parts of this research were carried out at PETRA III (experiment I‐20191507) and the authors would like to thank Martin Etter and Alexander Schökel for assistance in using beamline P02.1 for data collection. Additionally, the measurements at DESY leading to this results has been supported with travel reimbursement from DESY, for which the authors are grateful. CORRESPONDENCE ADDRESS: G. Kieslich; email: gregor.kieslich@tum.de PUBLISHER: John Wiley and Sons Inc ISSN: 1616301X CODEN: AFMDC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Adv. Funct. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus Samoc M., Matczyszyn K., Nyk M., Olesiak-Banska J., Gordel M., Hanczyc P., Kolkowski R., Szeremeta J., Wawrzynczyk D., Waszkielewicz M., Zareba J. AUTHOR FULL NAMES: Samoc, Marek (7006335493); Matczyszyn, Katarzyna (6603171262); Nyk, Marcin (8415115800); Olesiak-Banska, Joanna (40661805800); Gordel, Marta (58002341000); Hanczyc, Piotr (57008032300); Kolkowski, Radoslaw (37061142500); Szeremeta, Janusz (35977059500); Wawrzynczyk, Dominika (36672254900); Waszkielewicz, Magdalena (56543611600); Zareba, Jan (55882042000) 7006335493; 6603171262; 8415115800; 40661805800; 58002341000; 57008032300; 37061142500; 35977059500; 36672254900; 56543611600; 55882042000 Nonlinear absorption in nanosystems of biological significance (2014) Materials Research Society Symposium Proceedings, 1698, Cited 2 times. DOI: 10.1557/opl.2014.781 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84924359366&doi=10.1557%2fopl.2014.781&partnerID=40&md5=5c0799b1306e2e88f9762bc964d1416d AFFILIATIONS: Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wyb. Wyspianskiego 27, Wroclaw, 50-370, Poland ABSTRACT: We have been studying a number of nanosystems that either have potential applications in bioimaging and/or light-activated therapies, or are bioderived. The standard Z-scan technique was routinely used for most of the measurements which were carried out in a wide wavelength range, typically from ∼550 nm to 1.6 μm. The range of nanoparticles studied has included colloidal semiconductor nanoparticles (e.g. CdS, CdSe), plasmonic nanoparticles, metal clusters, lanthanide-doped fluoride and oxide nanocrystals as well as core-shell systems. Among the bioderived systems studied especially interesting one is that of protein amyloid fibers. Many of these materials exhibit nonlinear absorption features due not only to the typical two-photon absorption processes, but also due to multiple-photon absorption taking place, especially at longer wavelengths (e.g. three- four- and five-photon processes). On the other hand, absorption saturation processes may prevail or compete with multi-photon absorption in certain wavelength ranges in some of these materials, especially those characterized by broadband absorption due to surface plasmon excitation. Copyright © 2014 Materials Research Society. AUTHOR KEYWORDS: nanoscale; nanostructure; optical properties INDEX KEYWORDS: Cadmium sulfide; Metal nanoparticles; Multiphoton processes; Nanoparticles; Nanophotonics; Nanostructures; Nanosystems; Nonlinear optics; Optical properties; Photons; Plasmons; Biological significance; Colloidal semiconductors; Multi-photon absorption; Nano scale; Nonlinear absorptions; Plasmonic nanoparticle; Surface plasmon excitation; Two photon absorption; Two photon processes EDITORS: Caldwell J., Larouche S., Aydin K., Humphrey M.G., Walters R., Sun W., Zhang C., Zia R., Maier S., Cao L., Munday J. PUBLISHER: Materials Research Society ISSN: 02729172 CODEN: MRSPD LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Mater Res Soc Symp Proc DOCUMENT TYPE: Conference paper PUBLICATION STAGE: Final SOURCE: Scopus Mayer D.C., Zarȩba J.K., Raudaschl-Sieber G., Pöthig A., Chołuj M., Zaleśny R., Samoć M., Fischer R.A. AUTHOR FULL NAMES: Mayer, David C. (56688140800); Zarȩba, Jan K. (55882042000); Raudaschl-Sieber, Gabriele (6506350820); Pöthig, Alexander (55180656900); Chołuj, Marta (56770152600); Zaleśny, Robert (6602893548); Samoć, Marek (7006335493); Fischer, Roland A. (7403086742) 56688140800; 55882042000; 6506350820; 55180656900; 56770152600; 6602893548; 7006335493; 7403086742 Postsynthetic Framework Contraction Enhances the Two-Photon Absorption Properties of Pillar-Layered Metal-Organic Frameworks (2020) Chemistry of Materials, 32 (13), pp. 5682 - 5690, Cited 14 times. DOI: 10.1021/acs.chemmater.0c01417 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089775765&doi=10.1021%2facs.chemmater.0c01417&partnerID=40&md5=1618626194ca916a9d935cbdd13fbce3 AFFILIATIONS: Inorganic and Metal-Organic Chemistry, Department of Chemistry, Technical University of Munich, Lichtenbergstr. 4, Garching, 85748, Germany; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland ABSTRACT: Aggregation-induced emission (AIE) dyes have been shown to be a potential ligand class for multiphoton absorbing metal-organic frameworks (MPA-MOFs); however, the influence of framework flexibility on the local ligand conformation and its ramifications on the nonlinear absorption properties of this material class have sparsely been understood. In this study, we systematically investigate the two-photon absorption properties of two pillar-layered MOFs comprising tetraphenylethylene AIE ligands and compare the results to the organic ligand in crystal form, using a combination of linear and nonlinear optical characterization methods and electronic-structure calculations. We demonstrate that self-confining the AIE ligand is key to enhance the nonlinear optical absorption properties, as a structure transformation to contracted frameworks strongly increases the two-photon absorption response, which can be addressed by specific ligand substitution. Our results have important implications on the design of MPA-MOFs and provide synthetic guidelines not only from a fundamental point of view but also application-wise. Copyright © 2020 American Chemical Society. INDEX KEYWORDS: Crystal structure; Electronic structure; Ligands; Light absorption; Mathematical transformations; Metal-Organic Frameworks; Nonlinear optics; Optical properties; Organometallics; Photons; Aggregation-induced emissions; Electronic structure calculations; Framework flexibility; Ligand conformations; Nonlinear absorption properties; Nonlinear optical absorption; Structure transformations; Two photon absorption; Two photon processes FUNDING DETAILS: Polish National Science Centre FUNDING DETAILS: Deutsche Forschungsgemeinschaft, DFG FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2013/10/A/ST4/00114, 2018/30/E/ST4/00457 FUNDING DETAILS: Graduate School, Technische Universität München, TUM-GS FUNDING TEXT 1: The TUM is very greatly acknowledged for institutional funding. D.C.M. thanks the TUM Graduate School for financial support. We thank Pia Vervoorts for help with BET measurements. This research work was further supported by the DFG Priority Program 1928 “Coordination Networks: Building Blocks for Functional Systems” ( www.coornets.de ). J.K.Z. is supported by the Foundation for Polish Science (FNP). J.K.Z. and M.S. acknowledge financial support from the Polish National Science Centre (NCN) under the Maestro 2013/10/A/ST4/00114 grant and from the Faculty of Chemistry, Wrocław University of Science and Technology. R.Z. and M.C. acknowledge financial support from the Polish National Science Centre (grant 2018/30/E/ST4/00457). CORRESPONDENCE ADDRESS: R.A. Fischer; Inorganic and Metal-Organic Chemistry, Department of Chemistry, Technical University of Munich, Garching, Lichtenbergstr. 4, 85748, Germany; email: roland.fischer@tum.de; M. Samoć; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wrocław, Wyb. Wyspiańskiego 27, 50370, Poland; email: marek.samoc@pwr.edu.pl; R. Zaleśny; Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wrocław, Wyb. Wyspiańskiego 27, 50370, Poland; email: robert.zalesny@pwr.edu.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mączka M., Gągor A., Stefańska D., Zaręba J.K., Pikul A. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Gągor, Anna (57202635813); Stefańska, Dagmara (56040819300); Zaręba, Jan K. (55882042000); Pikul, Adam (6602200193) 15725818100; 57202635813; 56040819300; 55882042000; 6602200193 Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members (2022) Dalton Transactions, 51 (23), pp. 9094 - 9102, Cited 3 times. DOI: 10.1039/d2dt01212j https://www.scopus.com/inward/record.uri?eid=2-s2.0-85131902330&doi=10.1039%2fd2dt01212j&partnerID=40&md5=dc900ff5141d724b7fa5447aca36b4d6 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okólna 2, Wrocław, 50-422, Poland; Institute of Advanced Materials, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Hybrid organic-inorganic perovskites comprising hypophosphite ligands are emerging functional materials exhibiting magnetic, photoluminescence, negative thermal expansion and negative linear compressibility behaviours. This work reports five novel hypophosphite perovskites, [A]M(H2POO)3 (A = pyrrolidinium (PYR+), guanidinium (GUA+) and imidazolium (IM+); M = Cd2+ and Co2+). [GUA]Cd(H2POO)3, [IM]Cd(H2POO)3, [GUA]Co(H2POO)3 and [IM]Co(H2POO)3 belong to the centrosymmetric trigonal R3̄c, monoclinic P21/c, monoclinic I2/m, and orthorhombic Pbca space groups, respectively, while [PYR]Cd(H2POO)3 crystallizes in the noncentrosymmetric orthorhombic space group Aea2. The polar order of PYR+ cations was confirmed by observation of moderate second harmonic generation (SHG) activity. Magnetic studies reveal that [GUA]Co(H2POO)3 and [IM]Co(H2POO)3 are weak ferromagnets with the ordering temperatures higher compared to their manganese analogues. Upon ultraviolet excitation, the cadmium counterparts exhibit purplish-blue emissions at low temperatures, which decrease on heating. Analysis of the photoluminescence data reveals that the emission quenching decreases with decreasing distortion of the cadmium-hypophosphite framework. Discovery of the new hypophosphites exhibiting magnetic or polar order and photoluminescence properties shows that hypophosphite perovskites offer a promising platform for generating new functional materials, including those that are light emitting, ferroelectric and multiferroic. © 2022 The Royal Society of Chemistry. INDEX KEYWORDS: Cadmium; Cobalt; Functional materials; Harmonic generation; Magnetism; Nonlinear optics; organic-inorganic materials; Photoluminescence; Thermal expansion; Centrosymmetric; Cobalt-based; Guanidinium; Hybrid organic-inorganic; Imidazolium; Linear compressibilities; Monoclinics; Photoluminescence properties; Polar order; Pyrrolidinium; Perovskite FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2018/31/B/ST5/00455 FUNDING TEXT 1: This research was supported by the National Science Centre (Narodowe Centrum Nauki) in Poland under project no. 2018/31/B/ST5/00455. JKZ acknowledges Academia Iuvenum, Wroclaw University of Science of Technology for support. CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, ul. Okólna 2, 50-422, Poland; email: m.maczka@intibs.pl PUBLISHER: Royal Society of Chemistry ISSN: 14779226 CODEN: DTARA PUBMED ID: 35661846 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Dalton Trans. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Kumar M., Sheikh H.N., Fraconetti A., Zarȩba J.K., Sahoo S.C., Frontera A. AUTHOR FULL NAMES: Kumar, Manesh (55793189514); Sheikh, Haq Nawaz (7006576724); Fraconetti, Antonio (55515082100); Zarȩba, Jan K. (55882042000); Sahoo, Subash Chandra (22958946300); Frontera, Antonio (7004015277) 55793189514; 7006576724; 55515082100; 55882042000; 22958946300; 7004015277 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: The role of heteroaromatic π-π Stacking and hydrogen bonding (2019) New Journal of Chemistry, 43 (5), pp. 2179 - 2195, Cited 39 times. DOI: 10.1039/c8nj05701j https://www.scopus.com/inward/record.uri?eid=2-s2.0-85060792910&doi=10.1039%2fc8nj05701j&partnerID=40&md5=479d1b4d8f5c9c08c8dbda61da7fa150 AFFILIATIONS: Department of Chemistry, University of Jammu, Baba Sahib Ambedkar Road, Jammu, 180006, India; Department of Chemistry, Universitat de les Illes Balears, Palma (Baleares), 07122, Spain; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology Wyb, Wyspiańskiego 27, Wrocław, 50370, Poland; Department of Chemistry, Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh, 160 014, India ABSTRACT: Heteroaromatic carboxylate ligands are very intriguing components of coordination assemblies such as coordination polymers (CPs) due to their inherently multitopic structures. While the fundamental scheme of bonding in CPs is sustained by carboxylic groups, the heteroatoms present in ligands can serve as sites for competitive coordination or can play a sometimes nonobvious role through a range of non-covalent forces such as hydrogen bonding or heteroaromatic π-π stacking. In order to explore the coordination abilities of O-containing heterocyclic ligands, we have assembled five CPs from a heteroaromatic rigid 2,5-furandicarboxylic acid (2,5-H2FDA) linker and lanthanide nodes (Pr, Eu, Ce and Nd) via hydrothermal synthesis: {[Pr2(2,5-FDA)2(H2O)10]n2+·n[(2,5-FDA)2-6(H2O)]} (1), {[Ln2(2,5-FDA)3(H2O)3(DMF)]n·n[(DMF)xH2O]} [where Ln = Pr (2), Eu (3) and Ce (4); x = 2.33 for CPs 2 and 4 and 2.25 for CP 3] and {[Nd2(2,5-FDA)3(H2O)4]n·n[(DMF)1.5H2O]} (5) (2,5-FDA2- = 2,5-furandicarboxylate, DMF = N,N′-dimethylformamide). From the structural viewpoint, CP 1 is a 1D cationic [Pr2(2,5-FDA)2(H2O)10]n2+ coordination polymer having a guest FDA2- counterion stacked in-between coordination chains and six water molecules occupying lattice sites. The 2,5-FDA2- linker exhibits three different coordination modes viz. (μ2-κO,O:κO,O) in CP 1, and unprecedented for this ligand (μ3-κO,O:κO;κO,O) and (μ4-κO:κO:κO:κO) coordination modes in CPs 2-5. The CPs 2-5 are isostructural. Dinuclear [Pr2O18] in CP 1 and tetranuclear [M4O32] [M = Pr (2), Eu (3), Ce (4) and Nd (5)] in CPs 2-5 form secondary building units respectively. Topological analysis reveals that the cationic CP 1 shows 2D-(4,4) rhombohedral grid topology by virtue of H-bonding, whereas CPs 2-5 have bcu topology. The structures adopted by the CPs 1-5 are further explored by Hirshfeld Surface (HS) analysis. In particular, specific properties of heteroaromatic π-π stacking and of hydrogen bonding are evaluated using shape-index and dnorm-mapped HSs, respectively. DFT calculations were employed to identify and quantify contributions to the binding energy of stacked 2,5-FDA2- species in CP 1. It was found that π-π interaction of 2,5-FDA2- moieties made a modest contribution to the formation of the assembly (-2.6 kcal mol-1), which is dominated by the stabilization energy of H-bonds and the electrostatic attraction between counter-ions (-44.1 kcal mol-1 per hydrogen bond). Finally, strong ligand-sensitized Eu3+f-f luminescence is exhibited by CP 3. © 2019 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. INDEX KEYWORDS: acetic acid ethyl ester; acetone; acetonitrile; alcohol; carboxylic acid; counterion; furan; lanthanide; ligand; methanol; nitric acid derivative; polymer; aroma; Article; chemical parameters; color; density functional theory; energy transfer; hydrogen bond; infrared spectroscopy; photoluminescence; priority journal; reaction temperature; surface property; synthesis; thermodynamics; thermogravimetry; thermostability; X ray powder diffraction FUNDING DETAILS: MINECO/AEI, CTQ2017-85821-R FUNDING DETAILS: University Grants Committee, UGC FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: European Regional Development Fund, FEDER FUNDING TEXT 1: We gratefully acknowledge Department of Physics, SMVDU Katra for photoluminescence studies and SAIF Chandigarh for PXRD analysis. M. K. is grateful to UGC, New Delhi, India for financial support (SRF Fellowship, Reference no.: 20/12/2015(ii) Eu-V). AF thanks the MINECO/AEI from Spain for a ‘‘Juan de la Cierva’’ contract. We thank the MINECO/AEI from Spain for financial support (project number CTQ2017-85821-R, FEDER funds). We are grateful to the CTI (UIB) for free allocation of computer time. JKZ acknowledges financial support from the Faculty of Chemistry, Wrocław University of Science and Technology. JKZ is also supported by the Foundation for Polish Science (FNP). SCS thanks to DST-FIST for single crystal X-ray facility at PU. CORRESPONDENCE ADDRESS: H.N. Sheikh; Department of Chemistry, University of Jammu, Jammu, Baba Sahib Ambedkar Road, 180006, India; email: hnsheikh@rediffmail.com PUBLISHER: Royal Society of Chemistry ISSN: 11440546 CODEN: NJCHE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: New J. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mączka M., Ptak M., Fedoruk K., Stefańska D., Gągor A., Zaręba J.K., Sieradzki A. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Ptak, Maciej (36905137400); Fedoruk, Katarzyna (57211231514); Stefańska, Dagmara (56040819300); Gągor, Anna (57202635813); Zaręba, Jan K. (55882042000); Sieradzki, Adam (8678738100) 15725818100; 36905137400; 57211231514; 56040819300; 57202635813; 55882042000; 8678738100 The lattice symmetrization worked, but with a plot twist: effects of methylhydrazinium doping of MAPbI3 on phase transitions, cation dynamics and photoluminescence (2024) Journal of Materials Chemistry C, Cited 0 times. DOI: 10.1039/d3tc02723f https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181704546&doi=10.1039%2fd3tc02723f&partnerID=40&md5=8e0f2ec1f895b74300c04a5ff156d2ec AFFILIATIONS: W. Trzebiatowski Institute of Low Temperature and Structure Research of the Polish Academy of Sciences, Okólna 2, Wrocław, 50-422, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Advanced Materials Engineering and Modeling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Lattice symmetrization is a term coined for the intentional doping of methylammonium lead iodide (MAPbI3) with larger organic cations to lower the transition temperature to the cubic phase, whose stability is much preferred over the tetragonal one to avoid undesired lattice strain harmful for device operation, which could appear due to the cubic-tetragonal phase transition (PT) present near 330 K in undoped MAPbI3. The following case study of three-dimensional (3D) organic cation-alloyed perovskites of formula MA1−xMHyxPbI3 (MHy+ = methylhydrazinium; x < 0.25) unveils the complex impact of MHy+ doping on the stability of crystal phases. For low doping of x ≤ 0.115 the cubic-tetragonal PT temperature strongly decreases on doping, as expected. The MHy+-induced lattice symmetrization worked to the point that at room-temperature (RT) the cubic phase could be observed at a doping of x = 0.057, the lowest among so far used organic dopants. By contrast, the temperature of the tetragonal-orthorhombic PT increases on doping, opposite to what was observed for analogous doped MAPbI3 systems. Unexpectedly, however, beyond x > 0.2 the tendency reverses, as the temperatures of tetragonal-to-cubic PTs shift strongly to higher values. Significant changes in PT mechanism at high doping conditions are inferred from large thermal hystereses, Raman scattering data showing the presence of two unique MA+ cations in the orthorhombic phase, and dielectric spectroscopy demonstrating dipolar relaxation for low-doped systems, and its suppression for highly-doped ones. The substitution of MA+ with MHy+ leads to a weak widening of the band gap while retaining efficient emission and extended absorption, suitable for optoelectronic applications. © 2024 The Royal Society of Chemistry. INDEX KEYWORDS: Energy gap; Iodine compounds; Layered semiconductors; Lead compounds; Perovskite; Positive ions; Case-studies; Crystal phasis; Cubic phase; Device operations; Lattice strain; Organic cations; Organic dopants; Orthorhombic phase; Phase transition temperatures; Tetragonal phase; Doping (additives) FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2019/35/B/ST5/00043 FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2019/35/B/ST5/00043. J. K. Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology CORRESPONDENCE ADDRESS: M. Mączka; W. Trzebiatowski Institute of Low Temperature and Structure Research of the Polish Academy of Sciences, Wroclaw, Okólna 2, 50-422, Poland; email: M.Maczka@intibs.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507526 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Article in press SOURCE: Scopus Bryndal I., Drozd M., Lis T., Zarȩba J.K., Ratajczak H. AUTHOR FULL NAMES: Bryndal, Iwona (6506811082); Drozd, Marek (55500364000); Lis, Tadeusz (35430513800); Zarȩba, Jan K. (55882042000); Ratajczak, Henryk (7005199875) 6506811082; 55500364000; 35430513800; 55882042000; 7005199875 Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties and crystallographic and spectroscopic studies (2020) CrystEngComm, 22 (27), pp. 4552 - 4565, Cited 5 times. DOI: 10.1039/d0ce00606h https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089550817&doi=10.1039%2fd0ce00606h&partnerID=40&md5=8040aa88f2c0cc47bcc5a67fc40f5a93 AFFILIATIONS: Department of Drugs Technology, Faculty of Pharmacy, Wrocław Medical University, Borowska 211A, Wrocław, 50-556, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, Wrocław, 50-422, Poland; Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, Wrocław, 50-383, Poland; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Synthesis of compounds with improved physicochemical properties, including nonlinear optical phenomena such as second harmonic generation, might be considered as one of the most challenging aspects of crystal engineering. In this work, we examine the diversity of hydrogen bond networks and relative efficiencies of second harmonic generation in new noncentrosymmetric complexes comprising phenol-based hydrogen bond donors (2,5-dinitrophenol, 4-nitrophenol, 2,3,5,6-tetrachlorophenol) and pyridinium-based hydrogen bond acceptors (2-aminopyridine, 3,5-dimethylpyridine, 2,3,6-trimethylpyridine): 2-aminopyridinium 2,5-dinitrophenolate [(2APy)+·(2,5-DNP)-] (1), 2-aminopyridinium 4-nitrophenolate 4-nitrophenol [(2APy)+·(4-NP)-·(4-NP)] (2), 2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate [(2,3,6C)+·(TCP)-] (3), and 3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol [(3,5L)·(TCP)] (4). In compounds (1)-(3), proton transfer occurs; specifically, compounds (1) and (3) are classified as salts while compound (2) belongs to the ionic co-crystal class. Only in the case of compound (4), no evidence of proton transfer is found, attesting to its co-crystal nature. The 2,5-DNP molecule was found to possess a short intramolecular O-H⋯O hydrogen bond and crystallize in the monoclinic crystal system with space group P21. Crystal structure analysis reveals that the substituted phenol-pyridine complexes crystallize as salts linked by N-H⋯O hydrogen bonds in the orthorhombic crystal system with space group Pna21, (1) and (2), or P212121 (3), whereas (4) crystallizes in the monoclinic Cc space group as a formally molecular complex (1 : 1) linked by O-H⋯N hydrogen bonds. Additionally, the vibrational study results are also presented. These results have been discussed in the context of the hydrogen bond network present in the investigated crystals. The relative efficiencies of the second harmonic generation (SHG) process for compounds (1)-(4) were examined under 800 nm irradiation using the Kurtz-Perry powder technique. Low SHG efficiency on the order of 10-4vs. that of KDP was observed for compounds (1) and (4), which is ascribed to the self-filtering effect. For these compounds, the two-photon excited fluorescence was additionally registered. © 2020 The Royal Society of Chemistry. INDEX KEYWORDS: Complex networks; Complexation; Crystal structure; Drug products; Efficiency; Harmonic analysis; Harmonic generation; Nonlinear optics; Phenols; Physicochemical properties; Proton transfer; Pyridine; Salts; Spectroscopic analysis; Transmission control protocol; Crystal structure analysis; Hydrogen bond acceptors; Hydrogen bond networks; Hydrogen-bonded complexes; Monoclinic crystal systems; Orthorhombic crystal system; Perry powder technique; Two-photon excited fluorescence; Hydrogen bonds CORRESPONDENCE ADDRESS: I. Bryndal; Department of Drugs Technology, Faculty of Pharmacy, Wrocław Medical University, Wrocław, Borowska 211A, 50-556, Poland; email: iwona.bryndal@umed.wroc.pl PUBLISHER: Royal Society of Chemistry ISSN: 14668033 CODEN: CRECF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Crystengcomm DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Wojciechowska M., Gagor A., Piecha-Bisiorek A., Jakubas R., Cizman A., Zarȩba J.K., Nyk M., Zieliński P., Medycki W., Bil A. AUTHOR FULL NAMES: Wojciechowska, Martyna (56725253900); Gagor, Anna (57202635813); Piecha-Bisiorek, Anna (10539543000); Jakubas, Ryszard (7005059138); Cizman, Agnieszka (8502904600); Zarȩba, Jan K. (55882042000); Nyk, Marcin (8415115800); Zieliński, Piotr (7007180236); Medycki, Wojciech (7003514165); Bil, Andrzej (6507745710) 56725253900; 57202635813; 10539543000; 7005059138; 8502904600; 55882042000; 8415115800; 7007180236; 7003514165; 6507745710 Ferroelectricity and Ferroelasticity in Organic Inorganic Hybrid (Pyrrolidinium)3[Sb2Cl9] (2018) Chemistry of Materials, 30 (14), pp. 4597 - 4608, Cited 63 times. DOI: 10.1021/acs.chemmater.8b00962 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85049173549&doi=10.1021%2facs.chemmater.8b00962&partnerID=40&md5=335b44af0c07d70eca7602272c5a5558 AFFILIATIONS: Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, Wrocław, 50-383, Poland; W. Trzebiatowski Institute of Low Temperature and Structure Research PAS, P.O. Box 1410, Wrocław, 50-950, Poland; Division of Experimental Physics, Faculty of Fundamental Problems of Technology, University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; H. Niewodniczański Institute of Nuclear Physics PAS, Radzikowskiego 152, Kraków, 31-342, Poland; Institute of Molecular Physics, PAS, M. Smoluchowskiego 17, Poznań, 60-179, Poland ABSTRACT: Perovskite-like materials exhibit desirable photophysical and electric properties that make them suitable for a remarkable breadth of applications in electronics and physics. In this contribution, we report on the multiphase ferroelectric and ferroelastic phenomena in a pyrrolidinium-based hybrid metal-organic material: (C4H8NH2)3[Sb2Cl9]. The title compound is the first pyrrolidinium derivative within the halobismuthates(III) and haloantimonates(III) families that is featured by the ferroelectric property. From a structural point of view, the crystal structure is built of [Sb2Cl9]3- ∞ perovskite-like layers, interdigitated by layers of pyrrolidinium cations. The rich solid-state dynamics of pyrrolidinium cations endowed (C4H8NH2)3[Sb2Cl9] with a complex sequence of temperature-dependent phase transitions. Remarkably, polar properties have been found to occur in all six phases, including room-temperature Phase I. Insights from variable-temperature single-crystal X-ray diffraction, dielectric spectroscopy, and T1 spin-lattice relaxation measurements revealed the general mechanism of most phase transitions, as related to the progressive ordering of nonequivalent pyrrolidinium cations. Noncentrosymmetry is probed by room-temperature second harmonic generation (SHG), while the ferroelectric property was evidenced through P(E) and dielectric measurements. The experimental values of spontaneous polarization were justified and analyzed in the context of theoretical values derived from quantum-chemical calculations. Optical measurements show that the integrity of the sample survives all of the phase transitions, despite sometimes significant deformations of the unit cell. The changes of symmetry associated with structural phase transitions are accompanied by an intriguing evolution of the ferroelastic domain structure with temperature. © Copyright 2018 American Chemical Society. INDEX KEYWORDS: Chemical analysis; Crystal structure; Dielectric materials; Ferroelectricity; Harmonic generation; Nonlinear optics; Optical data processing; Organometallics; Perovskite; Positive ions; Quantum chemistry; Single crystals; Structural properties; Dielectric measurements; Ferroelastic domain structures; Metal organic materials; Organic-inorganic hybrid; Quantum chemical calculations; Single crystal x-ray diffraction; Spontaneous polarizations; Structural phase transition; organic-inorganic materials FUNDING DETAILS: Wroclaw Centre of Biotechnology FUNDING TEXT 1: This work was supported by Wroclaw Centre of Biotechnology, programme: The Leading National Research Centre (KNOW) for years 2014−2018 (Contest No. 12). A grant of computer time from the Wrocław Center for Networking and Supercomputing (WCSS) is gratefully acknowledged. J.K.Z. is supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: A. Piecha-Bisiorek; Faculty of Chemistry, University of Wrocław, Wrocław, F. Joliot-Curie 14, 50-383, Poland; email: anna.piecha@chem.uni.wroc.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Medviediev V., Shishkina S., Ribalka A.O., Zarȩba J.K., Drozd M., Daszkiewicz M. AUTHOR FULL NAMES: Medviediev, Volodymyr (55258605100); Shishkina, Svitlana (57196285979); Ribalka, A.O. (57218488952); Zarȩba, Jan K. (55882042000); Drozd, Marek (55500364000); Daszkiewicz, Marek (15077866700) 55258605100; 57196285979; 57218488952; 55882042000; 55500364000; 15077866700 Revisiting 2-chloro-4-nitroaniline: Analysis of intricate supramolecular ordering of a triclinic polymorph featuring a high: Z value and strong second harmonic generation (2020) CrystEngComm, 22 (30), pp. 5073 - 5085, Cited 5 times. DOI: 10.1039/d0ce00582g https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089303007&doi=10.1039%2fd0ce00582g&partnerID=40&md5=dce17cd6e07fab6ff899eaea85ca6232 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna str. 2, Wrocław, 50-422, Poland; SSI "institute for Single Crystals", National Academy of Science of Ukraine, 60 Nauky Ave., Kharkiv, 61001, Ukraine; V. N. Karazin Kharkiv National University, 4 Svobody sq., Kharkiv, 61077, Ukraine; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, Wrocław, 50-370, Poland ABSTRACT: Polymorphism represents an expanding area of crystal engineering and an opportunity for discovery of materials with interesting properties, thus giving new perspectives for "old", well-known compounds known by chemists for decades. In this work, we revisit 2-chloro-4-nitroaniline (2Cl4na) for which the crystal structure was first determined as early as 1965. Our failed trials to reproduce the original orthorhombic phase of 2Cl4na led to the determination of its new triclinic polymorph. Synthetic screening indicated that 2Cl4na can be obtained from several solvent mixtures as well as by slow cooling of the melted sample. This polymorph crystallizes in the non-centrosymmetric space group P1 with a = 3.7755(2) Å, b = 13.5798(7) Å, c = 28.554(1) Å, α = 89.503(4)°, β = 88.612(4)° and γ = 86.402(4)° lattice parameters and Z = 8. This high number of crystallographically equivalent molecules in the independent part of the unit cell resulted in an unusual supramolecular arrangement of this compound. Energy vector diagrams indicate that the structure of the previously known orthorhombic polymorph is columnar, whereas the triclinic one is quasi-isotropic. Calculations of lattice energies by an ab initio method with periodic boundary conditions showed that the triclinic polymorph is more stable by 0.89 kcal mol-1 in comparison to the orthorhombic one. The cooperative character of weak hydrogen bonds and stacking interactions was suggested as a key governing factor in the crystal growth of needle-like crystals. With the use of the Kurtz-Perry test we also demonstrate that this new polymorphic form of 2Cl4na produces second harmonic generation (SHG) that is 2 times higher than that obtained from potassium dihydrogen phosphate (KDP) upon irradiation with an 800 nm laser beam. Alongside the strong SHG, greenish-yellow two-photon excited fluorescence is also observed. This journal is © The Royal Society of Chemistry. INDEX KEYWORDS: Calculations; Crystal structure; Hydrogen bonds; Laser beams; Nonlinear optics; Potassium compounds; Screening; Supramolecular chemistry; Needle like crystal; Orthorhombic polymorph; Periodic boundary conditions; Potassium dihydrogen phosphate; Stacking interaction; Supramolecular arrangement; Supramolecular ordering; Two-photon excited fluorescence; Harmonic generation FUNDING DETAILS: ILT&SR PAS, 2019/5 FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING TEXT 1: We would like to thank the ILT&SR PAS for financial support by statutory activity subsidy, grant no. 2019/5. JKZ acknowledges financial support from the Faculty of Chemistry, Wrocław University of Science and Technology. JKZ is supported by the Foundation for Polish Science (FNP). Calculations have been carried out in the Wroclaw Centre for Networking and Supercomputing (http://www.wcss.pl). CORRESPONDENCE ADDRESS: M. Daszkiewicz; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, Okólna str. 2, 50-422, Poland; email: m.daszkiewicz@intibs.pl PUBLISHER: Royal Society of Chemistry ISSN: 14668033 CODEN: CRECF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Crystengcomm DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Kumar M., Li L.-Q., Zarȩba J.K., Tashi L., Sahoo S.C., Nyk M., Liu S.-J., Sheikh H.N. AUTHOR FULL NAMES: Kumar, Manesh (55793189514); Li, Le-Qian (57210186815); Zarȩba, Jan K. (55882042000); Tashi, Lobzang (57205188671); Sahoo, Subash Chandra (22958946300); Nyk, Marcin (8415115800); Liu, Sui-Jun (55207532400); Sheikh, Haq Nawaz (7006576724) 55793189514; 57210186815; 55882042000; 57205188671; 22958946300; 8415115800; 55207532400; 7006576724 Lanthanide Contraction in Action: Structural Variations in 13 Lanthanide(III) Thiophene-2,5-dicarboxylate Coordination Polymers (Ln = La-Lu, except Pm and Tm) Featuring Magnetocaloric Effect, Slow Magnetic Relaxation, and Luminescence-Lifetime-based Thermometry (2020) Crystal Growth and Design, 20 (10), pp. 6430 - 6452, Cited 42 times. DOI: 10.1021/acs.cgd.0c00611 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85090485450&doi=10.1021%2facs.cgd.0c00611&partnerID=40&md5=3693af7108ac9869318a94fd679f06b2 AFFILIATIONS: Department of Chemistry, University of Jammu, Baba Sahib Ambedkar Road, Jammu, 180006, India; School of Chemistry and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou, Jiangxi Province, 341000, China; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Department of Chemistry, Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh, 160014, India ABSTRACT: Thirteen new three-dimensional lanthanide(III)-2,5-thiophenedicarboxylate coordination polymers (Ln-CPs) with general formulas of [Ln2(2,5-TDA)3(DMA)2(H2O)]n (Ln-CPs 1-4) and [Ln2(2,5-TDA)3(DMA)2]n(Ln-CPs 5-13) (where 2,5-TDA2- = 2,5-thiophedicarboxylate dianion, DMA = N,N′-dimethylacetamide, and Ln = La (1), Ce (2), Pr (3), Nd (4), Sm (5), Eu (6), Gd (7), Tb (8), Dy (9), Ho (10), Er (11), Yb (12) Lu (13)) have been synthesized solvothermally under two different temperature conditions in a DMA-H2O mixed solvent system. A structural analysis discloses that the four Ln-CPs 1-4 crystallize in the orthorhombic space group Pna21, whereas the eight Ln-CPs 5-8 and 10-13 crystallize in the triclinic P¯ 1 space group and Ln-CP 9 (Dy) adopts the monoclinic P2/c space group. The distinct crystal structures and coordination features indicate that lanthanide contraction, ancillary DMA molecules, and different coordination modes identified for 2,5-TDA2- play deciding roles in the self-assembly of Ln-CPs 1-13. The Ln(III) centers in compounds 1-13 exhibit three different coordination numbers, 9 (only 1; around La1), 8 (1-8 and 10-12), and 7 (4, 8, 9 and 11-13) with monocapped-square-antiprismatic, bicapped-trigonal-prismatic, and monocapped-trigonal-prismatic geometries, respectively. The title compounds display distinct 3D coordination frameworks with dinuclear (La2O15; for 1 and Ln2O14; for 2-4) SBUs and tetranuclear [Ln4O28] SBUs (for compounds 5-13). Variable-temperature magnetic susceptibility measurements were investigated for Ln-CPs 7-11 with an applied dc field of 1 kOe. The weak antiferromagnetic interaction and small ligand/metal mass ratio make Ln-CP 7 (Gd) a good candidate for low-temperature magnetic refrigeration with an impressive -ΔSmmax = 31.0 J kg-1 K-1 (63.6 mJ cm-3 K-1) at T = 2 K and ΔH = 7 T. Furthermore, the frequency and temperature dependences of the alternating current (ac) susceptibilities have been studied to explore the magnetic dynamics of Ln-CPs 8-10. Importantly, for compound 9 (Dy), the χ′m and χ″m curves and Cole-Cole plots at 2-6 K suggest the existence of slow magnetic relaxation behavior. Luminescence thermometry studies have been performed at 298-373 K for Ln-CPs 6 and 8. The Eu analogue (6) features a weak temperature dependence of luminescence lifetime (relative sensitivities of 0.43% K-1 and 0.34% K-1 at 298 and 373 K, respectively), whereas the Tb analogue (8) is a good lifetime-based luminescent thermometer with a constant relative sensitivity value of 1.35% K-1 in the investigated temperature range. © 2020 American Chemical Society. INDEX KEYWORDS: Binary alloys; Electric impedance measurement; Europium; Lanthanum alloys; Luminescence; Lutetium alloys; Magnetic relaxation; Magnetic susceptibility; Magnetocaloric effects; Polymers; Temperature distribution; Thermometers; Thulium alloys; Antiferro-magnetic interactions; Lanthanide contraction; Magnetic susceptibility measurements; Orthorhombic space groups; Slow magnetic relaxations; Temperature conditions; Temperature dependence; Trigonal prismatic geometry; Terbium FUNDING DETAILS: Faculty of Chemistry FUNDING DETAILS: Wroclaw University of Science and Technology, Wroclaw, Poland FUNDING DETAILS: National Natural Science Foundation of China, NSFC, 21501077 FUNDING DETAILS: University Grants Committee, UGC, 20/12/2015 FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Natural Science Foundation of Jiangxi Province, 20171BCB23066, 20192BAB203001 FUNDING TEXT 1: SAIF Chandigarh, IIT Indore, and DST-PURSE Phase-II, Government of India, are gratefully acknowledged for technical support. M.K. is grateful to the UGC, New Delhi, India, for financial support (SRF Fellowship, reference no. 20/12/2015(ii) Eu–V). S.-J.L. acknowledges the National Natural Science Foundation of China (21501077) and the Natural Science Foundation of Jiangxi Province (20171BCB23066 and 20192BAB203001). S.C.S. acknowledges the DST-FIST for the single-crystal X-ray facility at Panjab University Chandigarh. J.K.Z. and M.N. acknowledge financial support from the Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, Poland. J.K.Z. is also supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: H.N. Sheikh; Department of Chemistry, University of Jammu, Jammu, Baba Sahib Ambedkar Road, 180006, India; email: hnsheikh07@gmail.com; S.-J. Liu; School of Chemistry and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou, Jiangxi Province, 341000, China; email: sjliu@jxust.edu.cn PUBLISHER: American Chemical Society ISSN: 15287483 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Sahoo S., Kothavade P.A., Naphade D.R., Torris A., Praveenkumar B., Zaręba J.K., Anthopoulos T.D., Shanmuganathan K., Boomishankar R. AUTHOR FULL NAMES: Sahoo, Supriya (57327837500); Kothavade, Premkumar Anil (57220051689); Naphade, Dipti R. (57212476422); Torris, Arun (55980345100); Praveenkumar, Balu (8914756000); Zaręba, Jan K. (55882042000); Anthopoulos, Thomas D. (6701337286); Shanmuganathan, Kadhiravan (24073270900); Boomishankar, Ramamoorthy (6508131775) 57327837500; 57220051689; 57212476422; 55980345100; 8914756000; 55882042000; 6701337286; 24073270900; 6508131775 3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting (2023) Materials Horizons, 10 (8), pp. 3153 - 3161, Cited 0 times. DOI: 10.1039/d3mh00444a https://www.scopus.com/inward/record.uri?eid=2-s2.0-85161495033&doi=10.1039%2fd3mh00444a&partnerID=40&md5=a656d66dc50de3666f9bff0c30bb2b7f AFFILIATIONS: Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, Dr Homi Bhabha Road, Pune, 411008, India; Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Dr Homi Bhabha Road, Maharashtra, Pune, 411008, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), 23955-6900, Thuwal, Saudi Arabia; PZT Centre, Armament Research and Development Establishment, Dr Homi Bhabha Road, Pune, 411021, India; Institute of Advanced Materials, Wrocław University of Science and Technology, 50-370, Wrocław, Poland ABSTRACT: Three-dimensional printing (3DP) is an emerging technology to fabricate complex architectures, necessary to realize state-of-the-art flexible and wearable electronic devices. In this regard, top-performing devices containing organic ferro- and piezoelectric compounds are desired to circumvent significant shortcomings of conventional piezoceramics, e.g. toxicity and high-temperature device processibility. Herein, we report on a 3D-printed composite of a chiral ferroelectric organic salt {[Me3CCH(Me)NH3][BF4]} (1) with a biodegradable polycaprolactone (PCL) polymer that serves as a highly efficient piezoelectric nanogenerator (PENG). The ferroelectric property of 1 originates from its polar tetragonal space group P42, verified by P-E loop measurements. The ferroelectric domain characteristics of 1 were further probed by piezoresponse force microscopy (PFM), which gave characteristic ‘butterfly’ and hysteresis loops. The PFM amplitude vs. drive voltage measurements gave a relatively high magnitude of the converse piezoelectric coefficient for 1. PCL polymer composites with various weight percentages (wt%) of 1 were prepared and subjected to piezoelectric energy harvesting tests, which gave a maximum open-circuit voltage of 36.2 V and a power density of 48.1 μW cm−2 for the 10 wt% 1-PCL champion device. Furthermore, a gyroid-shaped 3D-printed 10 wt% 1-PCL composite was fabricated to test its practical utility, which gave an excellent output voltage of 41 V and a power density of 56.8 μW cm−2. These studies promise the potential of simple organic compounds for building PENG devices using advanced manufacturing technologies. © 2023 The Royal Society of Chemistry. INDEX KEYWORDS: 3D printing; Ammonia; Composite materials; Energy harvesting; Ferroelectric ceramics; Ferroelectricity; Open circuit voltage; Piezoelectric ceramics; Scanning probe microscopy; Ammonium salt; Complex architectures; Emerging technologies; Performance; Piezoelectric energy harvesting; Piezoelectric nanogenerator; Piezoresponse force microscopy; Polymer composite; Power densities; Three-dimensional printing (3DP); Piezoelectricity FUNDING DETAILS: CSIR-NCL FUNDING DETAILS: Center of Excellence on Additive Manufacturing FUNDING DETAILS: IISER-Pune FUNDING DETAILS: KAUST Solar Centre FUNDING DETAILS: Science and Technology Award for Research, STR/2021/000016 FUNDING DETAILS: Wroclaw University of Science and Technology and Academia Iuvenum FUNDING DETAILS: Council of Scientific and Industrial Research, India, CSIR FUNDING DETAILS: University Grants Commission, UGC FUNDING DETAILS: Science and Engineering Research Board, SERB, CRG/2019/004615 FUNDING DETAILS: Department of Chemicals and Petrochemicals, Ministry of Chemicals and Fertilizers, India, DCPC FUNDING DETAILS: King Abdullah University of Science and Technology, KAUST FUNDING TEXT 1: This work was supported by SERB, India via Grant No. CRG/2019/004615 (R.B.) and IISER-Pune. R. B. thanks SERB, India for the Science and Technology Award for Research (STAR) via Grant No. STR/2021/000016. S. S. thanks the UGC, India for the fellowship. P. K. thanks CSIR, India for the fellowship. The 3D printing work was supported by the Center of Excellence on Additive Manufacturing at CSIR-NCL, jointly funded by the Department of Chemicals and Petrochemicals, Ministry of Chemicals and Fertilizers and Council of Scientific and Industrial Research (CSIR). T. D. A. and D. R. N. are grateful to King Abdullah University of Science and Technology (KAUST) and KAUST Solar Centre (KSC) for the financial support. J. K. Z. acknowledges support from Wroclaw University of Science and Technology and Academia Iuvenum. We thank Prof. Ramanathan Vaidhyanathan for relative humidity experiments. We thank Prashant Dixit and Anirudh S for the d measurements. 33 CORRESPONDENCE ADDRESS: J.K. Zaręba; Institute of Advanced Materials, Wrocław University of Science and Technology, Wrocław, 50-370, Poland; email: jan.zareba@pwr.edu.pl; T.D. Anthopoulos; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), Thuwal, 23955-6900, Saudi Arabia; email: thomas.anthopoulos@kaust.edu.sa; ; R. Boomishankar; Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, Pune, Dr Homi Bhabha Road, 411008, India; email: boomi@iiserpune.ac.in PUBLISHER: Royal Society of Chemistry ISSN: 20516347 PUBMED ID: 37227322 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Mater. horizons DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Justyniarski A., Zarȩba J.K., Hańczyc P., Fita P., Chołuj M., Zaleśny R., Samoć M. AUTHOR FULL NAMES: Justyniarski, Adrian (56682088000); Zarȩba, Jan K. (55882042000); Hańczyc, Piotr (57008032300); Fita, Piotr (23003986100); Chołuj, Marta (56770152600); Zaleśny, Robert (6602893548); Samoć, Marek (7006335493) 56682088000; 55882042000; 57008032300; 23003986100; 56770152600; 6602893548; 7006335493 Utilizing formation of dye aggregates with aggregation-induced emission characteristics for enhancement of two-photon absorption (2018) Journal of Materials Chemistry C, 6 (16), pp. 4384 - 4388, Cited 11 times. DOI: 10.1039/c7tc05509a https://www.scopus.com/inward/record.uri?eid=2-s2.0-85046081898&doi=10.1039%2fc7tc05509a&partnerID=40&md5=60cacbfc5e67b701d017b68aca352c9d AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, Warsaw, 01-224, Poland; Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, Warsaw, 02-093, Poland; Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Femtosecond Z-scan measurements of aggregates of a quadrupolar D-π-D dye, 9,10-bis(N-hexylcarbazol-2-yl-vinyl-2)anthracene (BHCVA), provide direct evidence that aggregation of this AIE (aggregation-induced emission) chromophore leads to a sizeable enhancement of the intrinsic two-photon absorption cross section. Aggregation-induced improvement of nonlinear response is explained by theoretical analysis of electronic structure and geometrical parameters of aggregates. © 2018 The Royal Society of Chemistry. INDEX KEYWORDS: Aggregates; Chromophores; Electronic structure; Geometry; Photons; Aggregation-induced emissions; Dye aggregates; Femtoseconds; Non-linear response; Two photon absorption; Two-photon absorption cross section; Z-scan measurement; Two photon processes FUNDING DETAILS: Faculty of Chemistry FUNDING DETAILS: Polish Ministry of Science and Higher Education FUNDING DETAILS: Wrocław University of Science and Technology, 6221/IA/119/2012 FUNDING DETAILS: Narodowe Centrum Nauki, DEC-2013/10/A/ST4/00114 FUNDING TEXT 1: We acknowledge the financial support from the Polish National Science Centre under ‘‘Maestro’’ DEC-2013/10/A/ST4/00114 grant and the Faculty of Chemistry, Wrocław University of Science and Technology. We also gratefully acknowledge the instrumental grant 6221/IA/119/2012 from the Polish Ministry of Science and Higher Education. The calculations were performed at the Wroclaw Center for Networking and Supercomputing. CORRESPONDENCE ADDRESS: M. Samoć; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wrocław, Wyb. Wyspiańskiego 27, 50370, Poland; email: marek.samoc@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Zaręba J.K. AUTHOR FULL NAMES: Zaręba, Jan K. (55882042000) 55882042000 Tetraphenylmethane and tetraphenylsilane as building units of coordination polymers and supramolecular networks – A focus on tetraphosphonates (2017) Inorganic Chemistry Communications, 86, pp. 172 - 186, Cited 23 times. DOI: 10.1016/j.inoche.2017.10.013 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85032257151&doi=10.1016%2fj.inoche.2017.10.013&partnerID=40&md5=fb213d30a883b824ce416d3142c068c7 AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: In this work are explored opportunities for supramolecular and coordination chemistry that arise from a combination of a phosphonic functional group with tetrahedrally-shaped aromatic units: tetraphenylmethane (TPM) and tetraphenylsilane (TPSi). To provide a complete overview of TPM and TPSi-based tetraphosphonate materials, this paper has been divided into three distinct parts. In the first part are brought together and evaluated most convenient synthetic methods that can be employed for the preparation of TPM and TPSi aromatic scaffolds and of their corresponding tetrabromo derivatives (TPM-Br4 and TPSi-Br4). Further, possible routes to tetrakis(4-phosphonophenyl)methane (TPPM) and tetrakis(4-phosphonophenyl)silane (TPPSi) are discussed, with particular attention being paid to the palladium and nickel-catalyzed phosphonylation reactions. The second part of the literature survey is devoted to the overview of useful functionalities of metal-organic frameworks (MOFs) and coordination polymers (CPs) based on TPPM and TPPSi. This part starts with the description of various crystal engineering approaches towards the preparation of porous metal phosphonates – a rare class of materials that combines gas sorption property and exceptional thermal and chemical resistance. Next, copper(II) and zirconium phosphonates constructed from TPPSi are highlighted as robust heterogenous catalysts for cycloaddition of carbon dioxide to epoxides and epoxide ring-opening reactions. Further, TPPM-based diester CPs with cobalt(II) ions have been investigated in terms of their nonlinear optical properties, serving as models for studies of spectrally-resolved second harmonic generation (SHG) and third harmonic generation (THG). In the third, final part of this work are overviewed efforts of several research groups on the elucidation of solid-state assembly and supramolecular chemistry of TPPM and TPPSi tectons. Here, the emphasis is being placed on their packing preferences, hydrogen bonding, Hirshfeld surface properties and phenyl embrace interactions. © 2017 Elsevier B.V. AUTHOR KEYWORDS: Crystal engineering; Metal phosphonates; Metal-organic frameworks (MOFs); Phosphonic acids; Phosphonic esters FUNDING DETAILS: Polish National Science Centre, DEC-2013/10/A/ST4/00114 FUNDING TEXT 1: JKZ acknowledges financial support from the Polish National Science Centre under “Maestro” DEC-2013/10/A/ST4/00114 grant and the Faculty of Chemistry , Wrocław University of Science and Technology . PUBLISHER: Elsevier B.V. ISSN: 13877003 CODEN: ICCOF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chem. Commun. DOCUMENT TYPE: Review PUBLICATION STAGE: Final SOURCE: Scopus Zareba J.K., Białek M.J., Janczak J., Nyk M., Zoń J., Samoć M. AUTHOR FULL NAMES: Zareba, Jan K. (55882042000); Białek, Michał J. (55520445600); Janczak, Jan (7005182041); Nyk, Marcin (8415115800); Zoń, Jerzy (6701626857); Samoć, Marek (7006335493) 55882042000; 55520445600; 7005182041; 8415115800; 6701626857; 7006335493 Beyond Single-Wavelength SHG Measurements: Spectrally-Resolved SHG Studies of Tetraphosphonate Ester Coordination Polymers (2015) Inorganic Chemistry, 54 (22), pp. 10568 - 10575, Cited 26 times. DOI: 10.1021/acs.inorgchem.5b01939 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84947606641&doi=10.1021%2facs.inorgchem.5b01939&partnerID=40&md5=f682bbb649902ae84d031fab9980e088 AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Thermodynamics, Theory of Machines and Thermal Systems, Faculty of Mechanical and Power Engineering, Wrocław University of Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Chemistry, University of Wrocław, F. Joliot-Curie 14, Wrocław, 50-383, Poland; Institute of Low Temperature and Structural Research, Polish Academy of Sciences, Okólna 2, P.O. Box 1410, Wrocław, 50-950, Poland ABSTRACT: Powder second-harmonic generation (SHG) efficiencies are usually measured at single wavelengths. In the present work, we provide a proof of concept of spectrally resolved powder SHG measured for a newly obtained series of three non-centrosymmetric coordination polymers (CPs). CPs are constructed from tetrahedral linker-tetraphenylmethane-based tetraphosphonate octaethyl ester and cobalt(II) ions of mixed, octahedral (Oh), and tetrahedral (Td), geometries and different sets of donors (CoO6 vs CoX3O). Isostructurality of the obtained materials allowed for the determination of anion-dependent tunability of SHG optical spectra and their relationship with solid-state absorption spectra. © 2015 American Chemical Society. PUBLISHER: American Chemical Society ISSN: 00201669 CODEN: INOCA LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Bronze Open Access SOURCE: Scopus Sahoo S., Vijayakanth T., Kothavade P., Dixit P., Zarȩba J.K., Shanmuganathan K., Boomishankar R. AUTHOR FULL NAMES: Sahoo, Supriya (57327837500); Vijayakanth, Thangavel (55270324900); Kothavade, Premkumar (57220051689); Dixit, Prashant (57204682733); Zarȩba, Jan K. (55882042000); Shanmuganathan, Kadhiravan (24073270900); Boomishankar, Ramamoorthy (6508131775) 57327837500; 55270324900; 57220051689; 57204682733; 55882042000; 24073270900; 6508131775 Ferroelectricity and Piezoelectric Energy Harvesting of Hybrid A2BX4-Type Halogenocuprates Stabilized by Phosphonium Cations (2022) ACS Materials Au, 2 (2), pp. 124 - 131, Cited 6 times. DOI: 10.1021/acsmaterialsau.1c00046 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85130107487&doi=10.1021%2facsmaterialsau.1c00046&partnerID=40&md5=dd59ddfe01d2d5a87d9e2bc49b344a5d AFFILIATIONS: Department of Chemistry, Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, 411008, India; Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune, 411008, India; Academy of Scientific and Innovative Research, Ghaziabad, 201002, India; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; PZT Centre, Armament Research and Development Establishment, Dr. Homi Bhabha Road, Pune, 411021, India ABSTRACT: Perovskite-structured compounds containing organic cations and inorganic anions have gained prominence as materials for next-generation electronic and energy devices. Hybrid materials possessing ferro- and piezoelectric properties are in recent focus for mechanical energy harvesting (nanogenerator) applications. Here, we report the ferroelectric behavior of A2BX4-type halogenocuprate materials supported by heteroleptic phosphonium cations. These lead-free discrete Cu(II) halides [Ph3MeP]2[CuCl4] (1) and [Ph3MeP]2[CuBr4] (2) exhibit a remnant polarization (Pr) of 17.16 and 26.02 μC cm-2, respectively, at room temperature. Furthermore, flexible polymer films were prepared with various weight percentage (wt %) compositions of 1 in thermoplastic polyurethane (TPU) and studied for mechanical energy harvesting applications. A highest peak-to-peak voltage output of 25 V and power density of 14.1 μW cm-2 were obtained for the optimal 15 wt % 1-TPU composite film. The obtained output voltages were utilized for charging a 100 μF electrolytic capacitor that reaches its maximum charging point within 30 s with sizable stored energies and accumulated charges. © 2022 American Chemical Society. AUTHOR KEYWORDS: Energy Harvesting; Ferroelectric; Hybrid Perovskite; Phosphonium Salt; Piezoelectric FUNDING DETAILS: Academia Iuvenum FUNDING DETAILS: IISER-Pune FUNDING DETAILS: Council of Scientific and Industrial Research, India, CSIR FUNDING DETAILS: University Grants Commission, UGC FUNDING DETAILS: Science and Engineering Research Board, SERB, CRG/2019/004615 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: This work was supported by SERB, India via Grant No. CRG/2019/004615 (R.B.) and IISER-Pune. S.S. thanks the UGC, India, for the fellowship. P.K. thanks CSIR, India, for the fellowship. J.K.Z. acknowledges financial support from Academia Iuvenum, Wroclaw University of Science and Technology. The authors would like to acknowledge A. Torris and A. Khairnar, CSIR-NCL, for help with X-ray tomography experiments. We thank Dr. B. Praveenkumar for the d measurements. 33 CORRESPONDENCE ADDRESS: R. Boomishankar; Department of Chemistry, Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, 411008, India; email: boomi@iiserpune.ac.in; K. Shanmuganathan; Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Pune, Dr. Homi Bhabha Road, 411008, India; email: k.shanmuganathan@ncl.res.in; J.K. Zarȩba; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: American Chemical Society ISSN: 26942461 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: ACS. Mater. Au. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Gold Open Access; Green Open Access SOURCE: Scopus Fedoruk K., Zelewski S.J., Zaręba J.K., Ptak M., Mączka M., Sieradzki A. AUTHOR FULL NAMES: Fedoruk, Katarzyna (57211231514); Zelewski, Szymon J. (57191854833); Zaręba, Jan K. (55882042000); Ptak, Maciej (36905137400); Mączka, Mirosław (15725818100); Sieradzki, Adam (8678738100) 57211231514; 57191854833; 55882042000; 36905137400; 15725818100; 8678738100 Getting the details right: optical, dielectric, and vibrational outcomes of structural phase transition in one-dimensional pyrrolidinium lead iodide and the role of defects (2022) Journal of Materials Chemistry C, 10 (29), pp. 10519 - 10529, Cited 4 times. DOI: 10.1039/d2tc01523d https://www.scopus.com/inward/record.uri?eid=2-s2.0-85133963157&doi=10.1039%2fd2tc01523d&partnerID=40&md5=5a3c474d607276b9dd121d83abd50090 AFFILIATIONS: Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Semiconductor Materials Engineering, Faculty of Fundamental Problems of Technology, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Cavendish Laboratory, JJ Thomson Avenue, University of Cambridge, Cambridge, CB3 0HE, United Kingdom; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, Wrocław, 50-422, Poland ABSTRACT: One-dimensional hybrid organic-inorganic halide perovskites have recently come under the spotlight of research due to their unique optical properties, including strong light absorption and other physicochemical characteristics relevant to energy conversion applications. Exchanging organic cations in the perovskite lattice is known to strongly affect the optical and dielectric properties of the material along with structural stability, stimulating investigations of new organic cations favoring the formation of low-dimensional phases. Herein, we report the synthesis, dielectric and Raman spectroscopy, calorimetric properties, and linear and nonlinear optical behavior of 1D hybrid organic-inorganic lead iodide with the pyrrolidinium cation (C4H8NH2PbI3, PyrPbI3). To the best of our knowledge, our results are the first showing the phase transition (PT) in this compound, which allowed us to determine its behavior in both phases. The material undergoes a first-order structural PT at 266.0 K (262.2 K) on heating (cooling). As a result of the structural PT, an abrupt rise in the dielectric permittivity, characteristic of dielectrically switchable materials, was observed. Temperature-dependent Raman spectra showed that the mechanism of the occurring PT is mainly associated with the sudden freezing of the Pyr+ cations. In addition, using independent optical methods such as photoacoustic and photothermal deflection spectroscopy, photoluminescence and third harmonic generation measurements, we determined the band gap energy of 2.6 eV. Thanks to in-depth optical measurements, we further the understanding of the photoluminescence emission origin in PyrPbI3 and question the generality of the attribution of broad band emission to self-trapped excitons. © 2022 The Royal Society of Chemistry. INDEX KEYWORDS: Energy gap; Excitons; Iodine compounds; Layered semiconductors; Light absorption; Nonlinear optics; Optical data processing; Optical lattices; Optical properties; organic-inorganic materials; Permittivity; Perovskite; Photons; Physicochemical properties; Positive ions; Stability; Halide perovskites; Hybrid organic-inorganic; Inorganic halides; One-dimensional; Optical-; Organic cations; Perovskite lattice; Physicochemical characteristics; Pyrrolidinium; Structural phase transition; Lead compounds FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING DETAILS: Narodowa Agencja Wymiany Akademickiej, NAWA, PPN/BEK/2020/1/00264/U/00001 FUNDING TEXT 1: S. J. Z. acknowledges the support from the Polish National Agency for Academic Exchange within the Bekker programme (grant no. PPN/BEK/2020/1/00264/U/00001). J. K. Z. acknowledges the financial support from Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: S.J. Zelewski; Department of Semiconductor Materials Engineering, Faculty of Fundamental Problems of Technology, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: szymon.zelewski@pwr.edu.pl; A. Sieradzki; Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: adam.sieradzki@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Mahmoudi G., Khandar A.A., Zaręba J.K., Białek M.J., Gargari M.S., Abedi M., Barandika G., Van Derveer D., Mague J., Masoumi A. AUTHOR FULL NAMES: Mahmoudi, Ghodrat (15765751200); Khandar, Ali Akbar (6602189800); Zaręba, Jan K. (55882042000); Białek, Michał J. (55520445600); Gargari, Masoumeh Servati (56304934700); Abedi, Marjan (36909473700); Barandika, Gotzone (36843822700); Van Derveer, Donald (15126376900); Mague, Joel (7003532104); Masoumi, Asad (56529244300) 15765751200; 6602189800; 55882042000; 55520445600; 56304934700; 36909473700; 36843822700; 15126376900; 7003532104; 56529244300 The role of hydrogen bonding on supramolecular assembly of the mercury coordination compounds and final structure influenced by solvent effect (2015) Inorganica Chimica Acta, 429, pp. 1 - 14, Cited 20 times. DOI: 10.1016/j.ica.2014.12.027 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84923635836&doi=10.1016%2fj.ica.2014.12.027&partnerID=40&md5=aab0782461c67aff4c1b14381c81fa4d AFFILIATIONS: Department of Inorganic Chemistry, Faculty of Chemistry, University of Tabriz, P.O. Box 5166616471, Tabriz, Iran; Faculty of Chemistry, Wrocław University of Technology, 27 Wybrzeze Wyspiańskiego Street, Wrocław, 50-370, Poland; Department of Chemistry, University of Wrocław, 14 F. Joliot-Curie Street, Wrocław, 50-383, Poland; Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, P.O. Box 56199-11367, Ardabil, Iran; Departamento de Química Inorgánica, Facultad de Farmacia, Universidad Del País Vasco (UPV/EHU), Paseo de la Universidad, 7, Vitoria-Gasteiz, 01006, Spain; Department of Chemistry, Clemson University, Clemson, 29634-0973, SC, United States; Department of Chemistry, Tulane University, New Orleans, 70118, LA, United States; Young Researchers and Elite Club, Tabriz Branch, Islamic Azad University, Tabriz, Iran ABSTRACT: In this study, mercury(II) compounds of composition [Hg(HL)(I)2]·CH3OH (1), [Hg(HL)(I)2]·CH3CH2OH (2), [Hg2(HL)(μ-I)I3·CH3CN]n (3), [Hg4(HL)2(μ-I)2I6] (4), [Hg2(L)I2]n (5) and [Hg(HL)Br2] (6) (HL = 2-pyridinecarbaldehyde nicotinoyl hydrazone) are described. Depending on the nature of the solvent, from mercury(II) iodide and HL were obtained: discrete solvatomorphic complexes 1 and 2, metallomacrocycle 4 and 1D coordination polymers 3 and 5. Mercury(II) bromide provided exclusively monomeric compound 6. In this work, we took an advantage of the Hirshfeld surface analysis and analyzed both qualitatively and quantitatively interactions governing supramolecular organization of presented halomercury(II) complexes. A special effort has been put on determination of interactions between complex molecules as well as on the role of solvent on the resulting structure. Analysis of 2D fingerprint plots has shown, among others, characteristic point patterns resulting from significant amount of dispersive Hal⋯H contacts. © 2015 Elsevier B.V. All rights reserved. AUTHOR KEYWORDS: Coordination polymer; Hirshfeld surface; Iodide-bridged complexes; Mercury(II) complexes; Solvatomorphism; Solvent effect INDEX KEYWORDS: Coordination reactions; Hydrogen; Hydrogen bonds; Polymers; Solvents; Supramolecular chemistry; Surface analysis; Coordination Polymers; Hirshfeld surfaces; Iodide-bridged complexes; Mercury complex; Solvatomorphism; Solvent effects; Mercury compounds FUNDING DETAILS: Tulane Crystallography Laboratory FUNDING DETAILS: University of Tabriz Research Council FUNDING DETAILS: Tulane University FUNDING TEXT 1: We are grateful to the University of Tabriz Research Council for the generous financial support of this research. J.T.M. thanks Tulane University for support of the Tulane Crystallography Laboratory. J.K.Z. acknowledges with thanks statutory financial support from the Faculty of Chemistry, Wrocław University of Technology, Wrocław, Poland. CORRESPONDENCE ADDRESS: G. Mahmoudi; Department of Inorganic Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz, P.O. Box 5166616471, Iran; email: mahmoudi_ghodrat@yahoo.co.uk PUBLISHER: Elsevier S.A. ISSN: 00201693 CODEN: ICHAA LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chim. Acta DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mączka M., Nowok A., Zarȩba J.K., Stefańska D., Gągor A., Trzebiatowska M., Sieradzki A. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Nowok, Andrzej (57215085951); Zarȩba, Jan K. (55882042000); Stefańska, Dagmara (56040819300); Gągor, Anna (57202635813); Trzebiatowska, Monika (13407976900); Sieradzki, Adam (8678738100) 15725818100; 57215085951; 55882042000; 56040819300; 57202635813; 13407976900; 8678738100 Near-Infrared Phosphorescent Hybrid Organic-Inorganic Perovskite with High-Contrast Dielectric and Third-Order Nonlinear Optical Switching Functionalities (2022) ACS Applied Materials and Interfaces, 14 (1), pp. 1460 - 1471, Cited 40 times. DOI: 10.1021/acsami.1c20557 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122658496&doi=10.1021%2facsami.1c20557&partnerID=40&md5=98ad46ab2347553b143c90fb2e5270ec AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okólna 2, Wrocław, 50-422, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Advanced Materials Engineering and Modeling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Hybrid organic-inorganic perovskites providing integrated functionalities for multimodal switching applications are widely sought-after materials for optoelectronics. Here, we embark on a study of a novel pyrrolidinium-based cyanide perovskite of formula (C4H10N)2KCr(CN)6, which displays thermally driven bimodal switching characteristics associated with an order-disorder phase transition. Dielectric switching combines two features important from an application standpoint: high permittivity contrast (Δϵ′ = 38.5) and very low dielectric losses. Third-order nonlinear optical switching takes advantage of third-harmonic generation (THG) bistability, thus far unprecedented for perovskites and coordination polymers. Structurally, (C4H10N)2KCr(CN)6 stands out as the first example of a three-dimensional stable perovskite among formate-, azide-, and cyanide-based metal-organic frameworks comprising large pyrrolidinium cations. Its stability, reflected also in robust switching characteristics, has been tracked down to the Cr3+ component, the ionic radius of which provides a large enough metal-cyanide cage for the pyrrolidinium cargo. While the presence of polar pyrrolidinium cations leads to excellent switchable dielectric properties, the presence of Cr3+ is also responsible for efficient phosphorescence, which is remarkably shifted to the near-infrared region (770 to 880 nm). The presence of Cr3+ was also found indispensable to the THG switching functionality. It is also found that a closely related cobalt-based analogue doped with Cr3+ ions displays distinct near-infrared phosphorescence as well. Thus, doping with Cr3+ ions is an effective strategy to introduce phosphorescence as an additional functional property into the family of cobalt-cyanide thermally switchable dielectrics. © 2021 The Authors. Published by American Chemical Society. AUTHOR KEYWORDS: chromium; coordination polymers; dielectric switching; nonlinear optics; phosphorescence; third-harmonic generation switching INDEX KEYWORDS: Chromium; Cobalt; Crystalline materials; Dielectric losses; Dielectric materials; Harmonic generation; Infrared devices; organic-inorganic materials; Organometallics; Perovskite; Positive ions; Coordination Polymers; Coordination-polymers; Dielectric switching; Hybrid organic-inorganic; Near Infrared; Near-infrared; Phosphorescence; Third-harmonic generation; Third-harmonic generation switching; Third-order nonlinear optical; Nonlinear optics FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2017/25/B/ST5/00160 FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project no. 2017/25/B/ST5/00160. J.K.Z. acknowledges support from the Academia Iuvenum, Wrocław University of Science and Technology. CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, ul. Okólna 2, 50-422, Poland; email: m.maczka@intibs.pl; J.K. Zarȩba; Advanced Materials Engineering and Modeling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: American Chemical Society ISSN: 19448244 PUBMED ID: 34965720 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: ACS Appl. Mater. Interfaces DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus Białek M.J., Zareba J.K., Janczak J., Zoń J. AUTHOR FULL NAMES: Białek, Michał J. (55520445600); Zareba, Jan K. (55882042000); Janczak, Jan (7005182041); Zoń, Jerzy (6701626857) 55520445600; 55882042000; 7005182041; 6701626857 Chains, layers, channels, and more: Supramolecular chemistry of potent diphosphonic tectons with tuned flexibility. the generation of pseudopolymorphs, polymorphs, and adducts (2013) Crystal Growth and Design, 13 (9), pp. 4039 - 4050, Cited 44 times. DOI: 10.1021/cg400859e https://www.scopus.com/inward/record.uri?eid=2-s2.0-84883738418&doi=10.1021%2fcg400859e&partnerID=40&md5=f1938ab38cebde22f2a3738d534ad278 AFFILIATIONS: Faculty of Chemistry, Wrocław University of Technology, 50-370 Wrocław, 27 Wybrzeze Wyspianskiego Street, Poland; Department of Chemistry, University of Wrocław, 50-383 Wrocław, 14 F. Joilot-Curie Street, Poland; Institute of Low Temperature and Structural Research, Polish Academy of Sciences, 50-950 Wrocław, 2 Okolna Street, Poland; Faculty of Mechanical and Power Engineering, Wrocław University of Technology, 50-370 Wrocław, 27 Wybrzeze Wyspianskiego Street, Poland ABSTRACT: Naphthalene-1,5-diphosphonic acid [C10H6(PO 3H2)2, H4NDP(1,5), 1] and its more flexible counterpart, naphthalene-1,5-bis(methylphosphonic) acid [C 10H6(CH2PO3H2) 2, H4NDP(1C,5C), 2], have been synthesized, characterized, and used as building blocks in supramolecular assemblies with 4-(N,N-dimethylamino)pyridine (DMAP) and morpholine. The two acids generate two distinct solvatomorphs each, with and without dimethyl sulfoxide (DMSO) molecules. The two adducts of H4NDP(1,5) with DMAP (3A and 3B) reveal conformational polymorphism caused by the rotation of phosphonic groups. The two adducts of H4NDP(1C,5C) show unexpected structural diversity, generating a symmetric hydrogen bond and creating a layered structure, 4A, or a channel structure, 4B. The adducts of both acids with morpholine (5A and 5B) allow for observing the influence of the conformational flexibility of the acids on the dimensionality of a final hydrogen bond network, which is in general higher for H4NDP(1C,5C). The structural motifs and trends are analyzed in terms of the geometric criteria of these interactions. For the first time, Hirshfeld surface analysis has also been applied for the investigation of supramolecular interactions of phosphonic acids in different protonation states. © 2013 American Chemical Society. INDEX KEYWORDS: Conformations; Dimethyl sulfoxide; Naphthalene; Organic solvents; Supramolecular chemistry; Surface analysis; Synthesis (chemical); Conformational flexibility; Conformational polymorphisms; Dimethyl sulfoxide (DMSO); Hirshfeld surfaces; Hydrogen bond networks; Structural diversity; Supramolecular assemblies; Supramolecular interactions; Hydrogen bonds CORRESPONDENCE ADDRESS: M.J. Białek; Faculty of Chemistry, Wrocław University of Technology, 50-370 Wrocław, 27 Wybrzeze Wyspianskiego Street, Poland; email: michal.bialek@chem.uni.wroc.pl ISSN: 15287505 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Prajesh N., Naphade D.R., Yadav A., Kushwaha V., Praveenkumar B., Zaręba J.K., Anthopoulos T.D., Boomishankar R. AUTHOR FULL NAMES: Prajesh, Neetu (57218764020); Naphade, Dipti R. (57212476422); Yadav, Ashok (57213251655); Kushwaha, Vikash (58119765500); Praveenkumar, Balu (8914756000); Zaręba, Jan K. (55882042000); Anthopoulos, Thomas D. (6701337286); Boomishankar, Ramamoorthy (6508131775) 57218764020; 57212476422; 57213251655; 58119765500; 8914756000; 55882042000; 6701337286; 6508131775 Visualization of domain structure and piezoelectric energy harvesting in a ferroelectric metal-ligand cage (2023) Chemical Communications, 59 (20), pp. 2919 - 2922, Cited 0 times. DOI: 10.1039/d3cc00098b https://www.scopus.com/inward/record.uri?eid=2-s2.0-85149034485&doi=10.1039%2fd3cc00098b&partnerID=40&md5=a63a08e02d3599188d1788557d47fbad AFFILIATIONS: Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, Dr Homi Bhabha Road, Pune, 411008, India; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), Thuwal, 23955-6900, Saudi Arabia; PZT Centre, Armament Research and Development Establishment, Dr Homi Bhabha Road, Pune, 411021, India; Institute of Advanced Materials, Wroclaw University of Science and Technology, 50-370, Wroclaw, Poland ABSTRACT: The ferroelectric behaviour of an octahedral cage [[Ni6(H2O)12(TPTA)8]·(NO3)12·36H2O] (1) exhibiting high remnant polarization of 25.31 μC cm−2 is discovered. For the first time, clear domain structures and the characteristic electromechanical responses are demonstrated using piezoresponsive force microscopy for a thin film of 1. Owing to its mechanical energy conversion capability, polymer composites of 1 were employed as efficient piezoelectric nanogenerators. © 2023 The Royal Society of Chemistry. INDEX KEYWORDS: Energy harvesting; Ferroelectric materials; Ferroelectricity; Scanning probe microscopy; metal; polymer; triphenyltin acetate; Domain structure; Electromechanical response; Ferroelectric behavior; Force microscopy; Mechanical energies; Metal ligands; Piezoelectric energy harvesting; Polymer composite; Remnant polarizations; Thin-films; Article; crystal structure; energy conversion; hysteresis; ligand binding; microscopy; piezoelectricity; polarization; rigidity; X ray crystallography; X ray diffraction; Piezoelectricity CORRESPONDENCE ADDRESS: B. Praveenkumar; PZT Centre, Armament Research and Development Establishment, Dr Homi Bhabha Road, Pune, 411021, India; email: praveenkumar@arde.drdo.in; J.K. Zaręba; Institute of Advanced Materials, Wroclaw University of Science and Technology, 50-370, Wroclaw, Poland; email: jan.zareba@pwr.edu.pl; T.D. Anthopoulos; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), Thuwal, 23955-6900, Saudi Arabia; email: thomas.anthopoulos@kaust.edu.sa; R. Boomishankar; Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, Dr Homi Bhabha Road, Pune, 411008, India; email: boomi@iiserpune.ac.in PUBLISHER: Royal Society of Chemistry ISSN: 13597345 CODEN: CHCOF PUBMED ID: 36799201 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Commun. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Medviediev V., Baran J., Zaręba J.K., Drozd M., Daszkiewicz M. AUTHOR FULL NAMES: Medviediev, Volodymyr (55258605100); Baran, Jan (7102305362); Zaręba, Jan K. (55882042000); Drozd, Marek (55500364000); Daszkiewicz, Marek (15077866700) 55258605100; 7102305362; 55882042000; 55500364000; 15077866700 Phase transition in non-centrosymmetric 2-methyl-5-nitroanilinium dihydrogen phosphate: structural, spectroscopic and optical studies (2020) Structural Chemistry, 31 (3), pp. 955 - 964, Cited 5 times. DOI: 10.1007/s11224-019-01480-0 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85077155204&doi=10.1007%2fs11224-019-01480-0&partnerID=40&md5=befd93186726d636f1b3e5a75a6a21a9 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna str. 2, P.O. Box 1410, Wrocław, 50-950, Poland; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, Wrocław, 50-370, Poland ABSTRACT: A reversible phase transition in 2-methyl-5-nitroanilinium dihydrogen phosphate, (H2m5na)H2PO4, has been found and characterized. Lattice parameters of (H2m5na)H2PO4 change continuously upon cooling with smooth inflection point at 196 K. The crystal symmetry lowers from orthorhombic, space group Pca21, to monoclinic one, P21. Phase transition to the low-temperature phase features a significant movement of the aromatic ring of H2m5na+ ion assisted by the tilting of a nitro group. Structural modifications of the hydrogen-bonding network in (H2m5na)H2PO4 are identified and described with the use of graph-set descriptors; algebraic equations based on the graph-set descriptors are given. Phase transition was also monitored by temperature-dependent IR spectra, which revealed significant alterations in vibrational characteristics within 1000–950 cm−1 and 830–780 cm−1 spectral ranges. Kurtz-Perry test of (H2m5na)H2PO4 shown that relative SHG efficiency is 0.85 that of KDP at room temperature. Low-temperature phase features over four times weaker SHG than room-temperature one. © 2019, Springer Science+Business Media, LLC, part of Springer Nature. AUTHOR KEYWORDS: Crystal structure; Elementary graph-set descriptor; Phase transition; SHG; Vibrational spectroscopy FUNDING DETAILS: Faculty of Chemistry FUNDING DETAILS: Wrocław University of Science and Technology FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING TEXT 1: We would like to thank the ILT&SR PAS for financial support by statutory activity subsidy, grant no. 2019/5. JKZ acknowledges financial support from the Faculty of Chemistry, Wrocław University of Science and Technology. JKZ is supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: M. Daszkiewicz; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, Okólna str. 2, P.O. Box 1410, 50-950, Poland; email: m.daszkiewicz@intibs.pl PUBLISHER: Springer ISSN: 10400400 CODEN: STCHE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Struct Chem DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Radha A., Kumar S., Sharma D., Jassal A.K., Zaręba J.K., Franconetti A., Frontera A., Sood P., Pandey S.K. AUTHOR FULL NAMES: Radha, Anu (6603617860); Kumar, Sandeep (57301690100); Sharma, Deepika (57675193600); Jassal, Amanpreet K. (56021043200); Zaręba, Jan K. (55882042000); Franconetti, Antonio (55515082100); Frontera, Antonio (7004015277); Sood, Puneet (57189391123); Pandey, Sushil K. (57193530041) 6603617860; 57301690100; 57675193600; 56021043200; 55882042000; 55515082100; 7004015277; 57189391123; 57193530041 Indirect influence of alkyl substituent on sigma-hole interactions: The case study of antimony(III) diphenyldithiophosphates with covalent Sb-S and non-covalent Sb⋯S pnictogen bonds (2019) Polyhedron, 173, art. no. 114126, Cited 19 times. DOI: 10.1016/j.poly.2019.114126 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072049069&doi=10.1016%2fj.poly.2019.114126&partnerID=40&md5=aa1b0604b03a2eff5f85152f20b3ea30 AFFILIATIONS: Department of Chemistry, University of Jammu, Jammu, 180006, India; Department of Chemistry, Indian Institute of Technology Delhi, New Delhi, 110016, India; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Department of Chemistry, Universitat de les IllesBalears, Palma, 07122, Spain; Advanced Materials Research Center, Block-A2 Building, Kamand Campus, Indian Institute of Technology, Mandi, 175005, Himachal Pradesh, India ABSTRACT: Pnictogen bonding, arguably, is one of the least explored members of the young family of sigma-hole interactions, despite the tremendous advances that have been made in “unconventional” supramolecular chemistry across recent years. One of its well documented properties is that its strength is strongly correlated with the electron withdrawing power of substituents bonding to pnictogen. Nevertheless, a practically uncharted territory is the role of structural variations that take place beyond the immediate environment of pnictogen, that is, in the region of broadly understood secondary coordination sphere. This contribution demonstrates that Sb⋯S pnictogen bonding competes, to a different degree, with Sb–S covalent bonding, depending on the extent of steric hindrance introduced by alkyl substituents (4-ethyl, 3,5-dimethyl, 4-tert-butyl), all placed at the exterior of the ligand molecules. This is observed in a set of antimony(III) diphenyldithiophosphate complexes [{(4-C2H5)C6H4O}2PS2]3Sb (4), [{3,5-(CH3)2C6H3O}2PS2]3Sb (5) and [{(4-(CH3)3C)C6H4O}2PS2]3Sb (6), as determined from single crystal X-ray crystallography. Specifically, three covalent Sb–S bonds and three non-covalent Sb⋯S pnictogen bonds are observed in 4, structure 5 exhibits one distinct non-covalent bond while 6, with bulky tert-butyl group, features no Sb⋯S pnictogen bonding. Theoretical DFT study (PB86-D3/def2-TZVP level of theory) of binding modes reveal that mixed covalent and non covalent bonding is energetically more stable (by approximately 4.5 kcal/mol) over all-covalent binding mode, providing a rationale for preferred formation of the former one in sterically less hindered structures. Alkyl bulkiness has far-reaching effect on the supramolecular organization of complex molecules themselves and on the conformation of ligand molecules within those complexes, both these aspects are explored with the use of Hirshfeld surface analysis. The most pronounced alkyl-dependent variations in intermolecular contact contributions to the HS are noted for H⋯H, C⋯H and S⋯H contacts for 3,5-dimethyl and 4-tert-butyl substitution patterns. © 2019 Elsevier Ltd AUTHOR KEYWORDS: Diphenyldithiophosphate; Pnictogen bonding; Sigma–hole interactions; Steric hindrance FUNDING DETAILS: MINECO/AEI, CTQ2017-85821-R FUNDING DETAILS: Wroc?aw University of Science and Technology FUNDING DETAILS: Comprehensive Transplant Institute, University of Alabama at Birmingham, CTI FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING TEXT 1: AF thanks the MINECO/AEI from Spain for a “Juan de la Cierva” contract. We thank the MINECO/AEI from Spain for financial support (project number CTQ2017-85821-R, FEDERfunds). We are grateful to the CTI (UIB) for free allocation of computer time. JKZ acknowledges financial support from the Faculty of Chemistry, Wrocław University of Science and Technology. JKZ is also supported by the Foundation for Polish Science (FNP). FUNDING TEXT 2: AF thanks the MINECO/AEI from Spain for a ?Juan de la Cierva? contract. We thank the MINECO/AEI from Spain for financial support (project number CTQ2017-85821-R, FEDERfunds). We are grateful to the CTI (UIB) for free allocation of computer time. JKZ acknowledges financial support from the Faculty of Chemistry, Wroc?aw University of Science and Technology. JKZ is also supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: S.K. Pandey; Department of Chemistry, University of Jammu, Jammu, 180006, India; email: kpsushil@rediffmail.com PUBLISHER: Elsevier Ltd ISSN: 02775387 CODEN: PLYHD LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Polyhedron DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Smółka S., Mączka M., Drozdowski D., Stefańska D., Gągor A., Sieradzki A., Zarȩba J.K., Ptak M. AUTHOR FULL NAMES: Smółka, Szymon (57907172200); Mączka, Mirosław (15725818100); Drozdowski, Dawid (57292246800); Stefańska, Dagmara (56040819300); Gągor, Anna (57202635813); Sieradzki, Adam (8678738100); Zarȩba, Jan K. (55882042000); Ptak, Maciej (36905137400) 57907172200; 15725818100; 57292246800; 56040819300; 57202635813; 8678738100; 55882042000; 36905137400 Effect of Dimensionality on Photoluminescence and Dielectric Properties of Imidazolium Lead Bromides (2022) Inorganic Chemistry, 61 (38), pp. 15225 - 15238, Cited 9 times. DOI: 10.1021/acs.inorgchem.2c02496 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85138796408&doi=10.1021%2facs.inorgchem.2c02496&partnerID=40&md5=a5f02b573050ad99195b1abc28545b60 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okólna 2, Wrocław, 50-422, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Advanced Materials, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Hybrid organic-inorganic lead halide perovskites have emerged as promising materials for various applications, including solar cells, light-emitting devices, dielectrics, and optical switches. In this work, we report the synthesis, crystal structures, and linear and nonlinear optical as well as dielectric properties of three imidazolium lead bromides, IMPbBr3, IM2PbBr4, and IM3PbBr5 (IM+ = imidazolium). We show that these compounds exhibit three distinct structure types. IMPbBr3 crystallizes in the 4H-hexagonal perovskite structure with face- and corner-shared PbBr6 octahedra (space group P63/mmc at 295 K), IM2PbBr4 adopts a one-dimensional (1D) double-chain structure with edge-shared octahedra (space group P1¯ at 295 K), while IM3PbBr5 crystallizes in the 1D single-chain structure with corner-shared PbBr6 octahedra (space group P1¯ at 295 K). All compounds exhibit two structural phase transitions, and the lowest temperature phases of IMPbBr3 and IM3PbBr5 are noncentrosymmetric (space groups Pna21 at 190 K and P1 at 100 K, respectively), as confirmed by measurements of second-harmonic generation (SHG) activity. X-ray diffraction and thermal and Raman studies demonstrate that the phase transitions feature an order-disorder mechanism. The only exception is the isostructural P1¯ to P1¯ phase transition at 141 K in IM2PbBr4, which is of a displacive type. Dielectric studies reveal that IMPbBr3 is a switchable dielectric material, whereas IM3PbBr5 is an improper ferroelectric. All compounds exhibit broadband, highly shifted Stokes emissions. Features of these emissions, i.e., band gap and excitonic absorption, are discussed in relation to the different structures of each composition. © 2022 The Authors. Published by American Chemical Society. INDEX KEYWORDS: Bromine compounds; Dielectric materials; Energy gap; Harmonic generation; Light emission; Nonlinear optics; Optical switches; organic-inorganic materials; Perovskite; Perovskite solar cells; Chains structure; Crystals structures; Dielectrics property; Halide perovskites; Hybrid organic-inorganic; Imidazolium; Light-emitting device; Linear and nonlinear optical properties; Photoluminescence properties; Space Groups; article; crystal structure; crystallization; phase transition; photoluminescence; synthesis; X ray diffraction; Lead compounds FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2020/38/A/ST3/00214 FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2020/38/A/ST3/00214. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: S. Smółka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, ul. Okólna 2, 50-422, Poland; email: s.smolka@intibs.pl; M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, ul. Okólna 2, 50-422, Poland; email: m.maczka@intibs.pl PUBLISHER: American Chemical Society ISSN: 00201669 CODEN: INOCA PUBMED ID: 36102245 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus Maçzka M., Gagor A., Zareba J.K., Stefanska D., Drozd M., Balciunas S., Šimenas M., Banys J., Sieradzki A. AUTHOR FULL NAMES: Maçzka, Mirosław (15725818100); Gagor, Anna (57202635813); Zareba, Jan K. (55882042000); Stefanska, Dagmara (56040819300); Drozd, Marek (55500364000); Balciunas, Sergejus (56755340700); Šimenas, Mantas (55865561500); Banys, Juras (7003687871); Sieradzki, Adam (8678738100) 15725818100; 57202635813; 55882042000; 56040819300; 55500364000; 56755340700; 55865561500; 7003687871; 8678738100 Three-dimensional perovskite methylhydrazinium lead chloride with two polar phases and unusual second-harmonic generation bistability above room temperature (2020) Chemistry of Materials, 32 (9), pp. 4072 - 4082, Cited 94 times. DOI: 10.1021/acs.chemmater.0c00973 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85085730739&doi=10.1021%2facs.chemmater.0c00973&partnerID=40&md5=44e413bd447374046a829c60fb06ef98 AFFILIATIONS: Advanced Materials Engineering and Modeling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wrocław, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław 2, 50-950, Poland; Faculty of Physics, Vilnius University, Vilnius, LT-10222, Lithuania; Department of Experimental Physics, Wrocław University of Science and Technology, Wrocław, 50-370, Poland ABSTRACT: Formation of noncentrosymmetric three-dimensional (3D) lead halide perovskites has been a widely sought after goal because the polar structure opens up new vistas to properties of these materials, e.g., improved charge separation for photovoltaics arising from ferroelectric order. Here, we report growth and unique properties of a new highly distorted 3D perovskite, methylhydrazinium lead chloride (CH3NH2NH2PbCl3, MHyPbCl3). This perovskite crystallizes in polar P21 structure at room temperature, which consists of two types of PbCl6 octahedra: one weakly and another strongly deformed. The unusual deformation of every second perovskite layer is forced by the large size of methylhydrazinium cations and the ability of NH2+ terminal groups of methylhydrazinium cations to form coordination bonds with Pb2+ metal centers. On heating, MHyPbCl3 undergoes a phase transition at 342 K into another polar Pb21m phase with ordered organic cations. Temperature-resolved second-harmonic generation (TR-SHG) measurements confirm acentricity of both phases and show that second-harmonic response is enhanced for the high-temperature Pb21m phase. This intriguing property of MHyPbCl3 has been employed to demonstrate an unprecedented kind of quadratic nonlinear optical switching in which a second-harmonic response is switched between a room-temperature, low-SHG state and a high-temperature, high-SHG state. X-ray diffraction shows that enhancement of polar properties is due to rearrangement of the perovskite's organic substructure. There is a clear pyrocurrent peak, but switching of the electric polarization could not be observed. Optical studies showed that MHyPbCl3 is a wide-bandgap material with a bandgap of 3.4 eV (365 nm). At low temperatures, it exhibits weak UV emissions at 362 and 369 nm as well as a strong broadband white emission. © 2020 American Chemical Society. All rights reserved. INDEX KEYWORDS: Chlorine compounds; Energy gap; Ferroelectric materials; Harmonic analysis; Harmonic generation; Nonlinear optics; Perovskite; Positive ions; Uranium metallography; Vanadium metallography; Charge separations; Electric polarization; Ferroelectric order; Halide perovskites; Non-centrosymmetric; Second harmonic response; Threedimensional (3-d); Wide band-gap material; Lead compounds FUNDING DETAILS: LMTLT, S-MIP-19-4 FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Lietuvos Mokslo Taryba FUNDING TEXT 1: This work has received funding from the Research Council of Lithuania (LMTLT), Agreement no. S-MIP-19-4. J.K.Z. acknowledges financial support from the Faculty of Chemistry, Wrocław University of Science and Technology. J.K.Z. is supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: M. Maçzka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław 2, 50-950, Poland; email: m.maczka@int.pan.wroc.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Zarȩba J.K., Szeremeta J., Waszkielewicz M., Nyk M., Samoć M. AUTHOR FULL NAMES: Zarȩba, Jan K. (55882042000); Szeremeta, Janusz (35977059500); Waszkielewicz, Magdalena (56543611600); Nyk, Marcin (8415115800); Samoć, Marek (7006335493) 55882042000; 35977059500; 56543611600; 8415115800; 7006335493 Nonlinear-Optical Response of Prussian Blue: Strong Three-Photon Absorption in the IR Region (2016) Inorganic Chemistry, 55 (19), pp. 9501 - 9504, Cited 21 times. DOI: 10.1021/acs.inorgchem.6b01556 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84990057261&doi=10.1021%2facs.inorgchem.6b01556&partnerID=40&md5=2d7bdc66d71dcd9c86bbffcabd9b8ef1 AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Organic and Pharmaceutical Technology, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: The nonlinear-optical properties of Prussian Blue nanoparticles have been evaluated with the use of femtosecond Z-scan measurements in the 1350-1750 nm range. This well-known inorganic pigment having interesting magnetic and electrochemical properties was found to be an efficient near-IR three-photon absorber. The maximum of the effective three-photon cross section is as high as 4.5 × 10-78 cm6 s2 at 1375 nm. By a comparison of the three-photon molar-mass-normalized merit factors, σ3/M, we show that this material is a competitive multiphoton absorber, especially in comparison to semiconductor quantum dots. © 2016 American Chemical Society. CORRESPONDENCE ADDRESS: J.K. Zarȩba; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wrocław, Wybrzeze Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: American Chemical Society ISSN: 00201669 CODEN: INOCA LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mencel K., Kinzhybalo V., Jakubas R., Zarȩba J.K., Szklarz P., Durlak P., Drozd M., Piecha-Bisiorek A. AUTHOR FULL NAMES: Mencel, Klaudia (57201660510); Kinzhybalo, Vasyl (16031058500); Jakubas, Ryszard (7005059138); Zarȩba, Jan K. (55882042000); Szklarz, Przemysław (8665504300); Durlak, Piotr (22233518700); Drozd, Marek (55500364000); Piecha-Bisiorek, Anna (10539543000) 57201660510; 16031058500; 7005059138; 55882042000; 8665504300; 22233518700; 55500364000; 10539543000 0D Bismuth(III)-Based Hybrid Ferroelectric: Tris(acetamidinium) Hexabromobismuthate(III) (2021) Chemistry of Materials, 33 (22), pp. 8591 - 8601, Cited 19 times. DOI: 10.1021/acs.chemmater.1c01266 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85118741545&doi=10.1021%2facs.chemmater.1c01266&partnerID=40&md5=09874cb86c8e9517db5c9d4c593fa64e AFFILIATIONS: Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, Wrocław, 50-383, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 2 Okólna, Wrocław, 50-422, Poland; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wrocław, 50-370, Poland ABSTRACT: Ferroelectric properties of haloantimonates(III) and halobismuthates(III) have been detected for as much as 40 structures belonging to 7 different types of anionic networks, with RMX4, R2MX5, R3M2X9, and R5M2X11 stoichiometries being the most frequently reported to host these properties. We report on the first ferroelectric of the halobismuthate(III) family with a R3MX6 stoichiometry, that is, tris(acetamidinium)hexabromobismuthate(III), (CH3C(NH2)2)3[BiBr6] (ABB), characterized by a one-component organic network. While the stoichiometry and crystal packing of ABB might seem uncomplicated, the temperature-resolved structural and spectroscopic studies paint a different picture in which rich polymorphism in the solid state occurs between tetragonal (paraelastic) and triclinic (ferroelastic) crystal phases: I (P42/n) → II (P1¯) at 272/277 K (cooling/heating), II (P1¯) → III (P1¯) at 207 K, and III (P1¯) → IV (P1) at 98/127 K. The ferroelectric properties of phase IV have been confirmed by the pyroelectric current and hysteresis loop measurements; additionally, the acentric symmetry has been further supported by second harmonic generation measurements. Crystallographic analysis of phase III reveals the antiparallel alignment of acetamidinium dipoles, pointing to the antiferrroelectric nature of this phase. In turn, the character of the ferroelectric transition (III → IV) should be considered as "displacive"for both cationic and anionic substructures.) In this report, we also explore the two-photon absorption property of ABB at 800 nm, a property that is unexplored for any halobismuthate(III) thus far. We also present periodic ab initio calculations for ABB crystals. The Berry-phase approach at the Hartree-Fock and density functional theory (DFT-D3) method levels is employed for spontaneous polarization calculations. The origin of ferroelectric polarization is studied using DFT-D3 and RHF electronic structure calculations, emphasizing the relationship between Ps and the relative orientation of organic/inorganic components. © INDEX KEYWORDS: Bismuth compounds; Calculations; Crystal structure; Density functional theory; Ferroelectric materials; Ferroelectricity; Nonlinear optics; Polymorphism; Spectroscopic analysis; Two photon processes; Anionic networks; Bismuth(III); Cationics; Crystal packings; Ferroelectric property; Ferroelectric transition; Halobismuthate; Organic networks; Property; Structural studies; Stoichiometry FUNDING DETAILS: Uniwersytet Warszawski, UW, G60-18 FUNDING DETAILS: Institut de Cardiologie de Montréal, MHI FUNDING DETAILS: Interdyscyplinarne Centrum Modelowania Matematycznego i Komputerowego UW, ICM UW FUNDING TEXT 1: P.D. would like to gratefully acknowledge the Academic Computer Centre in Gdansk (CI TASK) for the use of the Tryton Cluster and the Wroclaw Centre for Networking and Supercomputing (WCSS) for the use of the BEM Cluster. This work was supported by the Interdisciplinary Centre for Mathematical and Computational Modeling (ICM), the University of Warsaw (UW), within grant no G60-18. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: A. Piecha-Bisiorek; Faculty of Chemistry, University of Wrocław, Wrocław, F. Joliot-Curie 14, 50-383, Poland; email: anna.piecha@chem.uni.wroc.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Abedi M., Yeşilel O.Z., Mahmoudi G., Bauzá A., Lofland S.E., Yerli Y., Kaminsky W., Garczarek P., Zaręba J.K., Ienco A., Frontera A., Gargari M.S. AUTHOR FULL NAMES: Abedi, Marjan (36909473700); Yeşilel, Okan Zafer (16403949600); Mahmoudi, Ghodrat (15765751200); Bauzá, Antonio (37032758600); Lofland, Samuel E. (7005281562); Yerli, Yusuf (55940997400); Kaminsky, Werner (7102224392); Garczarek, Piotr (55606645500); Zaręba, Jan K. (55882042000); Ienco, Andrea (57809494400); Frontera, Antonio (7004015277); Gargari, Masoumeh Servati (56304934700) 36909473700; 16403949600; 15765751200; 37032758600; 7005281562; 55940997400; 7102224392; 55606645500; 55882042000; 57809494400; 7004015277; 56304934700 Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations (2016) Inorganica Chimica Acta, 443, pp. 101 - 109, Cited 26 times. DOI: 10.1016/j.ica.2015.12.012 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84953438978&doi=10.1016%2fj.ica.2015.12.012&partnerID=40&md5=5ddc7924e89b1830ddb2370120fae16e AFFILIATIONS: Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, P.O. Box 56199-11367, Ardabil, Iran; Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, Eskişehir, 26480, Turkey; Department of Chemistry, Faculty of Science, University of Maragheh, P.O. Box 55181-83111, Maragheh, Iran; Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma de Mallorca, Baleares, 07122, Spain; Department of Physics, Rowan University, 201 Mullica Hill Rd, Glassboro, 08028, NJ, United States; Yildiz Technical University, Art and Science Faculty, Physics Department, Esenler, Istanbul, 34220, Turkey; X-ray Crystallography Laboratory, University of Washington, United States; Faculty of Chemistry, Wrocław University of Technology, 27 Wybrzeze Wyspiańskiego Street, Wrocław, 50-370, Poland; ICCOM-CNR, Via Madonna del Piano 10, Sesto Fiorentino, Firenze, 50019, Italy; Young Researchers and Elite Club, Tabriz Branch, Islamic Azad University, Tabriz, Iran ABSTRACT: The complexes [Mn4(L1)4(N3)4] (1), [Mn4(L2)4(μ-N3)2(N3)2(OCH3)2] (2) and [Mn4(μ-L3)4(NCS)4]·6CH3OH (3) [L1 = N-1-(pyridin-2-yl)ethylidenepicolinohydrazonate, L2 = N-phenyl(pyridin-2-yl)methylenepicolino hydrazonate, and L3 = ((phenyl(pyridin-2-yl)methylene)hydrazinyl)((Z)-2-(phenyl(pyridin-2-yl)methylene)hydrazinyl)methanolate] have been synthesized, and their structures characterized. The structures of 1 and 3 can be described as tetranuclear and are formed from four Mn(II) ions bridged by four ligands. Complex 2 exhibits a centrosymmetric tetranuclear structure with two types of Mn(II) centers with double end-on (EO) azido bridges. All the complexes have similar magnetic behavior and exhibit weak intramolecular antiferromagnetic coupling, which is consistent with the oxygen-bridged square structures with large Mn-O-Mn bridge angles. Theoretically obtained J values of -1.7 cm-1 (for 1), -0.7 cm-1 (for 2) and -3.3 cm-1 (for 3) corroborate well the experimental results. Moreover, a Hirshfeld surface (HS) analysis was employed to gain additional insight into interactions responsible for packing of complexes 1-3 (with dnorm and shape-index functions). Quantitative examination of 2D fingerprint plots revealed, amongst others, the dominating participation of H...H and H...C interactions in the molecular packing. © 2015 Elsevier B.V. All rights reserved. AUTHOR KEYWORDS: Hydrazone ligands; Magnetism; Manganese(II) complexes; Tetranuclear complex INDEX KEYWORDS: Chelation; Crystals; Hydraulic structures; Ligands; Magnetism; Surface analysis; Synthesis (chemical); Antiferromagnetic coupling; Hirshfeld surfaces; Hydrazone ligands; Magnetic behavior; Manganese complexes; Molecular packings; Tetranuclear complexes; Tetranuclear structure; Manganese compounds FUNDING DETAILS: Young Researchers and Elite Club and College of Sciences of the University of Mohaghegh Ardabili Research Council FUNDING DETAILS: Ministerio de Economía y Competitividad, MINECO, CSD2010-00065, CTQ2014-57393-C2-1-P FUNDING DETAILS: European Regional Development Fund, FEDER FUNDING TEXT 1: We are grateful to the Young Researchers and Elite Club and College of Sciences of the University of Mohaghegh Ardabili Research Council for the generous financial support of this research and AB and AF thank MINECO of Spain (projects CTQ2014-57393-C2-1-P and CSD2010-00065, FEDER funds) for financial support. CORRESPONDENCE ADDRESS: M. Abedi; Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, Ardabil, P.O. Box 56199-11367, Iran; email: marjan_abedi2004@yahoo.com PUBLISHER: Elsevier S.A. ISSN: 00201693 CODEN: ICHAA LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chim. Acta DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Roleder K., Catalan G., Glazer A.M., Baker J.S., Ko J.-H., Naqvi F.H., Junaid S.B., Majchrowski A., Trybuła Z., Zarȩba J., Lazar I., Kajewski D., Koperski J., Soszyński A. AUTHOR FULL NAMES: Roleder, K. (6603945641); Catalan, G. (12799385700); Glazer, A.M. (7101844866); Baker, J.S. (57196001035); Ko, J.-H. (55647576600); Naqvi, F.H. (35410078300); Junaid, S.B. (58242252600); Majchrowski, A. (7003556079); Trybuła, Z. (56559848300); Zarȩba, J. (55882042000); Lazar, I. (57191541173); Kajewski, D. (23018508200); Koperski, J. (26660823900); Soszyński, A. (8307799300) 6603945641; 12799385700; 7101844866; 57196001035; 55647576600; 35410078300; 58242252600; 7003556079; 56559848300; 55882042000; 57191541173; 23018508200; 26660823900; 8307799300 Weak low-temperature polarity in a PbZr O3 single crystal (2023) Physical Review B, 107 (14), art. no. L140102, Cited 0 times. DOI: 10.1103/PhysRevB.107.L140102 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85158863407&doi=10.1103%2fPhysRevB.107.L140102&partnerID=40&md5=763eeb48963b1258d85e29faa4449865 AFFILIATIONS: Institute of Physics, University of Silesia, ul. 75 Pułku Piechoty 1, Chorzów, 41-500, Poland; Catalan Institute of Nanoscience and Nanotechnology (ICN2), Campus Universitat Autonoma de Barcelona Catalonia, Bellaterra, 08193, Spain; Institut Català de Recerca i Estudis Avançats (ICREA), Catalonia, Barcelona, 08010, Spain; Clarendon Laboratory, University of Oxford, Oxford, OX1 3PU, United Kingdom; London Centre for Nanotechnology, University College London, 17-19 Gordon St., London, WC1H 0AH, United Kingdom; School of Nano Convergence Technology, Hallym University, Gangwondo, Chuncheon, 24252, South Korea; Institute of Applied Physics, Military University of Technology, ul. Kaliskiego 2, Warsaw, 00-908, Poland; Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, Poznań, 60-179, Poland; Institute of Advanced Materials, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: We report the existence of a low-temperature polar phase in PbZrO3 below 270 K. The temperature dependence of resultant polarization was assigned from pyroelectric current changes measured after poling the single crystal or ceramic in a DC electric field. This was observed in single crystals and ceramics and may have a connection with the presence of polar (ferrielectric) antiphase boundaries inside the antiferroelectric phase. The transition point is demonstrated by changes in domain structure and anomalies in dielectric permittivity and losses in as-grown single crystals and ceramic samples. © 2023 American Physical Society. INDEX KEYWORDS: Binary alloys; Crystal structure; Electric fields; Permittivity; Temperature distribution; Antiferroelectric phasis; Antiphase boundaries; Current change; D.C. electric fields; Domain structure; Lows-temperatures; Polar phasis; Pyroelectric current; Temperature dependence; Transition point; Single crystals FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2020/37/B/ST3/02015 FUNDING TEXT 1: This research was funded by the National Science Centre, Poland, with Grant No. 2020/37/B/ST3/02015. We would also like to thank Prof. B. Hilczer, Dr. J. Hlinka, and Dr. M. Paściak for valuable discussions. PUBLISHER: American Physical Society ISSN: 24699950 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Phys. Rev. B DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus Nawrot K.C., Zareba J.K., Toporkiewicz M., Chodaczek G., Wawrzynczyk D., Kulbacka J., Bazylinska U., Nyk M. AUTHOR FULL NAMES: Nawrot, Katarzyna Celina (57209328593); Zareba, Jan Kazimierz (55882042000); Toporkiewicz, Monika (54685227000); Chodaczek, Grzegorz (6507502790); Wawrzynczyk, Dominika (36672254900); Kulbacka, Julita (8402351100); Bazylinska, Urszula (36117472100); Nyk, Marcin (8415115800) 57209328593; 55882042000; 54685227000; 6507502790; 36672254900; 8402351100; 36117472100; 8415115800 Polymeric nanocarriers with luminescent colloidal nanoplatelets as hydrophilic and non-toxic two-photon bioimaging agents (2021) International Journal of Nanomedicine, 16, pp. 3649 - 3660, Cited 4 times. DOI: 10.2147/IJN.S298300 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85107876304&doi=10.2147%2fIJN.S298300&partnerID=40&md5=d5c7817d7f31b969a374638bd1e92cea AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland; Łukasiewicz Research Network-PORT Polish Center for Technology Development, Wroclaw, 54-066, Poland; Department of Molecular and Cellular Biology, Faculty of Pharmacy, Wroclaw Medical University, Wroclaw, 50-556, Poland; Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland ABSTRACT: Introduction: Semiconductor nanoplatelets (NPLs) are promising materials for nonlinear optical microscopy since they feature good two-photon absorption (TPA) properties, narrow photoluminescence spectra and high quantum yields of luminescence. Nevertheless, the use of semiconductor NPLs is inevitably connected with concerns about heavy metal ion toxicity and their intrinsically hydrophobic character. Methods: Our contribution focuses on the design and engineering of coloidal bionanomaterial consisting of two-dimensional highly luminescent CdSe semiconductor NPLs loaded into spherical and homogeneous polymeric nanocarriers (NCs) based on poly(ethylene oxide) and poly(propy-lene oxide) block co-polymer. The biocompatibility and usefulness of the NPLs-loaded polymeric NCs in two-photon induced bioimaging was demonstrated invitroby cytotoxicity and two-photon microscopic studies using eukaryotic (normal fibroblasts and cancer ovarian) cells. Results: The encapsulated NPLs maintain their intensive and spectrally narrow photolumi-nescence, as well as preserve good TPA properties, while the surrounding polymer shell imparts hydrophilic character and non-toxicity towards eukaryotic cells. Specifically, TPA cross-sections of the colloidal NCs loaded with NPLs show large values reaching up to 2.0 × 108 GM, with simultaneously two-photon brightness reaching 2.2 × 107 GM at 870 nm. MTT proliferation assay performed on cell lines treated with encapsulated NPLs revealed at least 70% viability of normal human gingival fibroblast (HGF) and cancer ovarian (MDAH-2774) cells, while the results of multiphoton imaging of murine (L-929) fibroblasts suggest that the encapsulated NPLs are capable of labelling the target cells enabling their visualization. Conclusion: As a result, we obtained water dispersible and temporally stable hydrophilic NPLs-loaded NCs that offer excellent, both one-and two-photon excited fluorescence preserving optical properties of the raw hydrophobic and colloidal NPLs. The biological responses upon eukaryotic cells indicate that the encapsulation process protects cells from the toxic influence of cadmium simultaneously preserving the unique multiphoton properties of the active cargo which opens a promising perspective for its application in multiphoton cancer bioimaging excited at the “optical transmission window” of biological tissues in near-infrared range. © 2021 Nawrot et al. AUTHOR KEYWORDS: Cancer ovarian cells; Fibroblasts; Laser diagnostics; Nanodiagnostic agents; Nonlinear optical properties; Semiconductor biomaterials; Two-photon luminescence INDEX KEYWORDS: Animals; Cell Line; Colloids; Hydrophobic and Hydrophilic Interactions; Luminescent Agents; Mice; Microscopy; Nanostructures; Photons; Polyethylenes; Polypropylenes; Semiconductors; Water; cadmium selenide; copolymer; macrogol; nanocarrier; nanoplatelet; poly(propylene oxide); propylene oxide; unclassified drug; luminescent agent; nanomaterial; polyethylene derivative; polypropylene; UCON 50-HB-5100; water; animal cell; Article; biocompatibility; cell viability; colloid; controlled study; cytotoxicity; female; fibroblast cell line; human; human cell; human gingival fibroblast; human tissue; hydrophilicity; in vitro study; light absorption; MDAH 2774 cell line; MTT assay; multiphoton microscopy; nanoencapsulation; nanoengineering; NCTC clone 929 cell line; nonhuman; photoluminescence; two photon absorption; animal; cell line; chemical phenomena; chemistry; colloid; microscopy; mouse; photon; procedures; semiconductor FUNDING DETAILS: W roclaw University of Science and T echnology FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2018/29/B/ST4/02172 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: Research funded by National Science Centre, Poland under Grant no. 2018/29/B/ST4/02172 and by W roclaw University of Science and T echnology . FUNDING TEXT 2: Research funded by National Science Centre, Poland under Grant no. 2018/29/B/ST4/02172 and by Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: U. Bazylinska; Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland; email: urszula.bazylinska@pwr.edu.pl; M. Nyk; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland; email: marcin.nyk@pwr.edu.pl PUBLISHER: Dove Medical Press Ltd ISSN: 11769114 PUBMED ID: 34079255 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Int. J. Nanomed. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Gold Open Access; Green Open Access SOURCE: Scopus Zare¸ba J.K., Białek M.J., Janczak J., Zoń J., Dobosz A. AUTHOR FULL NAMES: Zare¸ba, Jan K. (55882042000); Białek, Michał J. (55520445600); Janczak, Jan (7005182041); Zoń, Jerzy (6701626857); Dobosz, Agnieszka (8350883600) 55882042000; 55520445600; 7005182041; 6701626857; 8350883600 Extending the family of tetrahedral tectons: Phenyl embraces in supramolecular polymers of tetraphenylmethane-based tetraphosphonic acid templated by organic bases (2014) Crystal Growth and Design, 14 (11), pp. 6143 - 6153, Cited 56 times. DOI: 10.1021/cg501348g https://www.scopus.com/inward/record.uri?eid=2-s2.0-84908674147&doi=10.1021%2fcg501348g&partnerID=40&md5=56c2afbfa0c2031958a7aa5159a3ea98 AFFILIATIONS: Faculty of Chemistry, Wrocław University of Technology, 27 Wybrzeze Wyspianskiego Street, Wrocław, 50-370, Poland; Department of Chemistry, University of Wrocław, 14 F. Joliot-Curie Street, Wrocław, 50-383, Poland; Institute of Low Temperature and Structural Research, Polish Academy of Sciences, 2 Okólna Street, P.O. Box 1410, Wrocław, 50-950, Poland; Department of Thermodynamics, Machine and Thermal Device Theory, Faculty of Mechanical and Power Engineering, Wrocław University of Technology, 27 Wybrzeze Wyspianskiego Street, Wrocław, 50-370, Poland; Department of Basic Medical Sciences, Wrocław Medical University, 211 Borowska Street, Wrocław, 50-556, Poland ABSTRACT: A missing member of the tetraphenylmethane-based family of supramolecular tectons, tetrakis(4-phosphonophenyl)methane, TPPM (1), has been obtained, characterized, and reacted with organic amines that possess modulated conformational flexibility. The obtained adducts serve as a diverse platform for the investigation of the amine templating effect on phenyl embraces, the resulting supramolecular network, and its topology. Hirshfeld surface (HS) analysis has been employed for the investigation of phenyl embraces, which led to the indication of characteristic HS features of 4PE and 6PE phenyl embraces. One can also observe a new subtype of phenyl embrace, namely, HBA-PE (hydrogen bond-assisted phenyl embrace), which constitutes the cooperation of two interactions: strong hydrogen bonding and a phenyl embrace. A topological insight into TPPM hydrogen-bonded networks is also provided. As a result, we found a connection of the amine template type with the periodicity of the underlying supramolecular network. Additionally, we report three previously unknown topologies. The obtainment of an unusual example of a phosphonic acid cocrystal with base (adduct 3) allowed for the determination of specific 2D fingerprint plot patterns for acid-base structures, with and without proton transfer. (Chemical Presented). © 2014 American Chemical Society. INDEX KEYWORDS: Chemical bonds; Hydraulic structures; Hydrogen bonds; Methane; Supramolecular chemistry; Topology; Conformational flexibility; Hirshfeld surfaces; Hydrogen bonded network; Phosphonic acids; Supramolecular networks; Supramolecular polymers; Templating effects; Tetraphenylmethanes; Organic polymers PUBLISHER: American Chemical Society ISSN: 15287483 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mencel K., Gągor A., Jakubas R., Ciżman A., Medycki W., Zarȩba J.K., Piecha-Bisiorek A. AUTHOR FULL NAMES: Mencel, K. (57201660510); Gągor, Anna (57202635813); Jakubas, R. (7005059138); Ciżman, A. (8502904600); Medycki, W. (7003514165); Zarȩba, J.K. (55882042000); Piecha-Bisiorek, A. (10539543000) 57201660510; 57202635813; 7005059138; 8502904600; 7003514165; 55882042000; 10539543000 Ferroelectricity in a lead free organic-inorganic 0D hybrid: Formamidinium bromoantimonate(iii) (2020) Journal of Materials Chemistry C, 8 (15), pp. 5025 - 5028, Cited 10 times. DOI: 10.1039/d0tc00168f https://www.scopus.com/inward/record.uri?eid=2-s2.0-85083760384&doi=10.1039%2fd0tc00168f&partnerID=40&md5=4424368a77f0c0440bf088078e9f1966 AFFILIATIONS: Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, Wrocław, 50-383, Poland; W. Trzebiatowski Institute of Low Temperature and Structure Research, PAS, P.O. Box 1410, Wrocław, 50-950, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Molecular Physics, Polish Academy of Science, M. Smoluchowskiego 17, Poznań, 60-179, Poland; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, Wrocław, 50-370, Poland ABSTRACT: A multiphase, low-temperature ferroelectric material of haloantimonate(iii) with a unique R5M2X11 composition and spontaneous polarization of about 3 μC cm-2 resulting from the mixed 'order-disorder' and 'displacive' molecular mechanism is successfully synthesized and characterized. © The Royal Society of Chemistry. INDEX KEYWORDS: Ferroelectric materials; Ferroelectricity; Temperature; Lead-Free; Low temperatures; Molecular mechanism; Organic-inorganic; Spontaneous polarizations; organic-inorganic materials CORRESPONDENCE ADDRESS: A. Piecha-Bisiorek; Faculty of Chemistry, University of Wrocław, Wrocław, F. Joliot-Curie 14, 50-383, Poland; email: anna.piecha@chem.uni.wroc.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Ondrušová S., Kloda M., Rohlíček J., Taddei M., Zarȩba J.K., Demel J. AUTHOR FULL NAMES: Ondrušová, Soňa (57195249093); Kloda, Matouš (57205696678); Rohlíček, Jan (21735310500); Taddei, Marco (36633372900); Zarȩba, Jan K. (55882042000); Demel, Jan (15833789800) 57195249093; 57205696678; 21735310500; 36633372900; 55882042000; 15833789800 Exploring the Isoreticular Continuum between Phosphonate- and Phosphinate-Based Metal-Organic Frameworks (2022) Inorganic Chemistry, 61 (47), pp. 18990 - 18997, Cited 3 times. DOI: 10.1021/acs.inorgchem.2c03271 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141972777&doi=10.1021%2facs.inorgchem.2c03271&partnerID=40&md5=127c07ca676e498db98c8ed30974457f AFFILIATIONS: Institute of Inorganic Chemistry, The Czech Academy of Sciences, Řež, 250 68, Czech Republic; Faculty of Science, Charles University, Praha 2, 128 00, Czech Republic; Department of Structure Analysis, Institute of Physics, Czech Academy of Sciences, Prague, 18221, Czech Republic; Department of Chemistry and Industrial Chemistry, University of Pisa, Via Giuseppe Moruzzi, 13, Pisa, 56124, Italy; Institute of Advanced Materials, Wrocław University of Science and Technology, Wybrzeże, Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: The rational design of metal-organic frameworks (MOFs) is one of the driving forces behind the great success that this class of materials is experiencing. The so-called isoreticular approach is a key design tool, very often used to tune the size, steric properties, and additional functional groups of the linker used. In this work, we go one step further and show that even linkers with two different coordinating groups, namely, phosphonate and phosphinate, can form isoreticular MOFs. This effectively bridges the gap between MOFs utilizing phosphinate and phosphonate coordinating groups. Using a novel bifunctional ligand, 4-[hydroxy(methyl)phosphoryl]phenylphosphonic acid [H3PPP(Me)], we were able to prepare ICR-12, a MOF isoreticular to already published MOFs containing bisphosphinate linkers (e.g., ICR-4). An isostructural MOF ICR-13 was also successfully prepared using 1,4-benzenediphosphonic acid. We envisage that this strategy can be used to further enlarge the pool of MOFs. © 2022 American Chemical Society. All rights reserved. INDEX KEYWORDS: Bifunctional ligand; Design tool; Driving forces; Isoreticular metal-organic frameworks; Metalorganic frameworks (MOFs); Phenylphosphonic acids; Phosphinate; Phosphonates; Rational design; Steric properties; Metal-Organic Frameworks FUNDING DETAILS: European Commission, EC, CZ.02.1.01/0.0/0.0/18_046/0015586 FUNDING DETAILS: Ministerstvo Školství, Mládeže a Tělovýchovy, MŠMT, LM2018124 FUNDING DETAILS: Grantová Agentura České Republiky, GA ČR, 20-04408S FUNDING TEXT 1: This work was supported by the Czech Science Foundation (no. 20-04408S). This work was supported by Research Infrastructure NanoEnviCz, supported by the Ministry of Education, Youth and Sports of the Czech Republic under Project no. LM2018124 and by the Ministry of Education, Youth and Sports of the Czech Republic and The European Union─European Structural and Investments Funds within the project Pro-NanoEnviCz II (Project no. CZ.02.1.01/0.0/0.0/18_046/0015586). J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: J.K. Zarȩba; Institute of Advanced Materials, Wrocław University of Science and Technology, Wybrzeże, Wrocław, Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl; J. Demel; Institute of Inorganic Chemistry, The Czech Academy of Sciences, Řež, 250 68, Czech Republic; email: demel@iic.cas.cz PUBLISHER: American Chemical Society ISSN: 00201669 CODEN: INOCA PUBMED ID: 36367986 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Fedoruk K., Drozdowski D., Maczka M., Zareba J.K., Stefańska D., Gagor A., Sieradzki A. AUTHOR FULL NAMES: Fedoruk, Katarzyna (57211231514); Drozdowski, Dawid (57292246800); Maczka, Mirosław (15725818100); Zareba, Jan K. (55882042000); Stefańska, Dagmara (56040819300); Gagor, Anna (57202635813); Sieradzki, Adam (8678738100) 57211231514; 57292246800; 15725818100; 55882042000; 56040819300; 57202635813; 8678738100 2PbCl4, a Two-Dimensional Perovskite with Polar and Modulated Phases (2022) Inorganic Chemistry, 61 (39), pp. 15520 - 15531, Cited 11 times. DOI: 10.1021/acs.inorgchem.2c02206 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85138932481&doi=10.1021%2facs.inorgchem.2c02206&partnerID=40&md5=9cf2710ed0cce8775b12a969de09684b AFFILIATIONS: Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okólna 2, Wrocław, 50-422, Poland; Advanced Materials Engineering and Modeling Group, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Two-dimensional (2D) lead halide perovskites are a family of materials at the heart of solar cell, light-emitting diode, and photodetector technologies. This perspective leads to a number of synthetic efforts toward materials of this class, including those with prescribed polar architectures. The methylhydrazinium (MHy+) cation was recently presumed to have an unusual capacity to generate non-centrosymmetric perovskite phases, despite its intrinsically nonchiral structure. Here, we witness this effect once again in the case of the Ruddlesden-Popper perovskite phase of formula MHy2PbCl4. MHy2PbCl4features three temperature-dependent crystal phases, with two first-order phase transitions at T1= 338.2 K (331.8 K) and T2= 224.0 K (205.2 K) observed in the heating (cooling) modes, respectively. Observed transitions involve a transformation from high-temperature orthorhombic phase I, with the centrosymmetric space group Pmmn, through the room-temperature modulated phase II, with the average structure being isostructural to I, to the low-temperature monoclinic phase III, with non-centrosymmetric space group P21. The intermediate phase II is a rare example of a modulated structure in 2D perovskites, with Pmmn(00γ)s00 superspace symmetry and modulation vector q ≅ 0.25c*. MHy2PbCl4beats the previous record of MHy2PbBr4in terms of the shortest inorganic interlayer distance in 2D perovskites (8.79 Å at 350 K vs 8.66 Å at 295 K, respectively). The characteristics of phase transitions are explored with differential scanning calorimetry, dielectric, and Raman spectroscopies. The non-centrosymmetry of phase III is confirmed with second harmonic generation (SHG) measurements, and polarity is demonstrated by the pyroelectric effect. MHy2PbCl4also exhibits thermochromism, with the photoluminescence (PL) color changing from purplish-blue at 80 K to bluish-green at 230 K. The demonstration of polar characteristics for one more member of the methylhydrazinium perovskites settles a debate about whether this approach can present value for the crystal engineering of acentric solids similar to that which was recently adopted by a so-called fluorine substitution effect. © 2022 American Chemical Society. All rights reserved. INDEX KEYWORDS: Bromine compounds; Crystal structure; Differential scanning calorimetry; Harmonic generation; Lead compounds; Nonlinear optics; Perovskite solar cells; Temperature; Centrosymmetric perovskite; Halide perovskites; Lightemitting diode; Modulated phasis; Non-centrosymmetric; Perovskite phasis; Phase II; Polar phasis; Space Groups; Two-dimensional; Perovskite FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2019/35/B/ST5/00043 FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under Project No. 2019/35/B/ST5/00043. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: A. Sieradzki; Department of Experimental Physics, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: adam.sieradzki@pwr.edu.pl; M. Maczka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, ul. Okólna 2, 50-422, Poland; email: m.maczka@intibs.pl PUBLISHER: American Chemical Society ISSN: 00201669 CODEN: INOCA PUBMED ID: 36130277 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus Drozdowski D., Gągor A., Stefańska D., Zarȩba J.K., Fedoruk K., Mączka M., Sieradzki A. AUTHOR FULL NAMES: Drozdowski, Dawid (57292246800); Gągor, Anna (57202635813); Stefańska, Dagmara (56040819300); Zarȩba, Jan K. (55882042000); Fedoruk, Katarzyna (57211231514); Mączka, Mirosław (15725818100); Sieradzki, Adam (8678738100) 57292246800; 57202635813; 56040819300; 55882042000; 57211231514; 15725818100; 8678738100 Three-Dimensional Methylhydrazinium Lead Halide Perovskites: Structural Changes and Effects on Dielectric, Linear, and Nonlinear Optical Properties Entailed by the Halide Tuning (2022) Journal of Physical Chemistry C, 126 (3), pp. 1600 - 1610, Cited 33 times. DOI: 10.1021/acs.jpcc.1c07911 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85123344726&doi=10.1021%2facs.jpcc.1c07911&partnerID=40&md5=cd74d3e8c99e65a89433bb792f24d7a6 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, Wrocław, 50-422, Poland; Advanced Materials Engineering and Modeling Group, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Three-dimensional lead halide perovskites are promising materials for optoelectronic applications. The most famous representative comprise methylammonium (MA+) and formamidinium (FA+) cations, but recently, this group was enlarged by methylhydrazinium (MHy+) analogues that crystallize in polar structures at room-temperature. Properties of three-dimensional (3D) perovskites can be tuned by mixing of molecular cations or halide anions. Here, we report synthesis and physicochemical characterization of mixed-halide MHyPbBrxCl3–x (x = 0.40, 0.58, 0.85, 1.33, 1.95, 2.25, and 2.55) and MHyPbBr2.8I0.2 perovskites. X-ray diffraction data show that all materials feature a polar monoclinic P21 symmetry at room temperature. With the temperature increase, all MHyPbBrxCl3–x perovskites undergo a displacive phase transition to another polar orthorhombic Pb21m phase at T2 ≥ 318 K. The bromine rich crystals (x ≥ 1.33) exhibit an additional order–disorder phase transition to the archetypal cubic Pm3̅m phase at T1 ≥ 409 K. In contrast to MHyPbBrxCl3–x perovskites, MHyPbBr2.8I0.2 undergoes a direct P21 to Pm3̅m phase transition. The temperature at which the cubic phase is stabilized, stability range of the Pb21m phase, and distortion of the lead-halide octahedra decrease with the increase of Br– content. The structural changes affect dielectric, conductivity, and optical properties. In particular, the Br-rich samples show switchable dielectric behavior near 410–420 K. Furthermore, the activation energy of Cl– ionic conductivity increases with the increase of Br– content in phases Pb21m and P21, whereas in phase Pm3̅m, the conductivity of Br– ions increases with the increase of Cl– content. The energy band gap narrows and the photoluminescence (PL) bands exhibit red shift when going from Cl to Br and then to I. Interestingly, whereas PL of the Br-rich and Cl-rich samples is dominated by bound exciton and self-trapped exciton bands, respectively, these bands are suppressed for 2.25 ≥ x ≥ 0.85. The PL color is strongly tuned by doping and changes from greenish-blue for the Cl-rich samples to yellowish-green for MHyPbBr2.8I0.2. SHG studies demonstrate that doping of MHyPbCl3 with Br– ions reduces the difference between SHG signal intensities of the monoclinic and orthorhombic phases, to the extent that beyond x = 1.95, the SHG response of these phases becomes essentially the same. The relative SHG efficiencies of Br–Cl mixed materials at room temperature increase with the increase in Br content. © 2022 The Authors. Published by American Chemical Society INDEX KEYWORDS: Activation energy; Blue shift; Bromine compounds; Chlorine compounds; Defect states; Excitons; Lead compounds; Nonlinear optics; Positive ions; Red Shift; Cation-anions; Halide perovskites; In-phase; Linear and nonlinear optical properties; Molecular cations; Optoelectronic applications; Perovskite structural; Polar structures; Property; Temperature increase; Perovskite FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2019/35/B/ST5/00043 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project no. 2019/35/B/ST5/00043. J.K.Z. acknowledges financial support from Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, Okólna 2, 50-422, Poland; email: m.maczka@intibs.pl PUBLISHER: American Chemical Society ISSN: 19327447 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Phys. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Xanthopoulos K., Anagnostou Z., Chalkiadakis S., Choquesillo-Lazarte D., Mezei G., Zaręba J.K., Zoń J., Demadis K.D. AUTHOR FULL NAMES: Xanthopoulos, Konstantinos (57210210457); Anagnostou, Zafeiria (36010439200); Chalkiadakis, Sophocles (57210211471); Choquesillo-Lazarte, Duane (6602973912); Mezei, Gellert (7003638571); Zaręba, Jan K. (55882042000); Zoń, Jerzy (6701626857); Demadis, Konstantinos D. (35498165800) 57210210457; 36010439200; 57210211471; 6602973912; 7003638571; 55882042000; 6701626857; 35498165800 Platonic relationships in metal phosphonate chemistry: Ionic metal phosphonates (2019) Crystals, 9 (6), art. no. 301, Cited 10 times. DOI: 10.3390/cryst9060301 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85069927760&doi=10.3390%2fcryst9060301&partnerID=40&md5=6776508839ae646e79be7ff824e68d2f AFFILIATIONS: Crystal Engineering, Growth and Design Laboratory, Department of Chemistry, University of Crete, Voutes Campus, Crete, GR-71003, Greece; Laboratorio de Estudios Cristalográficos, IACT, CSIC-Universidad de Granada, Granada, 18100, Spain; Department of Chemistry, Western Michigan University, Kalamazoo, 49008-5413, MI, United States; Advanced Materials Engineering and Modeling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Thermodynamics, Theory of Machine and Thermal Systems, Faculty of Mechanical and Power Engineering, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Phosphonate ligands demonstrate strong affinity for metal ions. However, there are several cases where the phosphonate is found non-coordinated to the metal ion. Such compounds could be characterized as salts, since the interactions involved are ionic and hydrogen bonding. In this paper we explore a number of such examples, using divalent metal ions (Mg2+, Ca2+, Sr2+ and Ni2+) and the phosphonic acids: p-aminobenzylphosphonic acid (H2PABPA), tetramethylenediamine-tetrakis(methylenephosphonic acid) (H8TDTMP), and 1,2-ethylenediphosphonic acid (H4EDPA). The compounds isolated and structurally characterized are [Mg(H2O)6]·[HPABPA]2·6H2O, [Ca(H2O)8]·[HPABPA]2, [Sr(H2O)8]·[HPABPA]2, [Mg(H2O)6]·[H6TDTMP], and [Ni(H2O)6]·[H2EDPA]·H2O. Also, the coordination polymer {[Ni(4,4’-bpy)(H2O)4]·[H2EDPA]·H2O}n was synthesized and characterized, which contains a bridging 4,4’-bipyridine (4,4’-bpy) ligand forming an infinite chain with the Ni2+ cations. All these compounds contain the phosphonate anion as the counterion to charge balance the cationic charge originating from the metal cation. © 2019 by the authors. Licensee MDPI, Basel, Switzerland. AUTHOR KEYWORDS: Ionic compounds; Metal phosphonate; Organic salts; Phosphonic acids FUNDING DETAILS: Research Committee of the University of Crete FUNDING DETAILS: University of Crete, UoC, KA 10329 FUNDING TEXT 1: K.D.D. acknowledges the Research Committee of the University of Crete (Grant KA 10329) for financial support. FUNDING TEXT 2: Funding: K.D.D. acknowledges the Research Committee of the University of Crete (Grant KA 10329) for financial support. CORRESPONDENCE ADDRESS: K.D. Demadis; Crystal Engineering, Growth and Design Laboratory, Department of Chemistry, University of Crete, Crete, Voutes Campus, GR-71003, Greece; email: demadis@uoc.gr PUBLISHER: MDPI AG ISSN: 20734352 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Crystals DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Gold Open Access; Green Open Access SOURCE: Scopus Mączka M., Stefańska D., Zaręba J.K., Nyk M., Sieradzki A. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Stefańska, Dagmara (56040819300); Zaręba, Jan K. (55882042000); Nyk, Marcin (8415115800); Sieradzki, Adam (8678738100) 15725818100; 56040819300; 55882042000; 8415115800; 8678738100 Temperature-dependent luminescence and second-harmonic generation of perovskite-type manganese and cadmium dicyanamide frameworks templated by tetrapropylammonium cations (2020) Journal of Alloys and Compounds, 821, art. no. 153464, Cited 19 times. DOI: 10.1016/j.jallcom.2019.153464 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85077044814&doi=10.1016%2fj.jallcom.2019.153464&partnerID=40&md5=52b6e9ed9e3044828b4001ab18742f3e AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Box 1410, Wrocław, 50-950, Poland; Advanced Materials Engineering and Modeling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Experimental Physics, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: This contribution is devoted to the linear and nonlinear optical studies of two three-dimensional (3D) perovskite-like metal-organic frameworks, [(C3H7)4N][Cd(N(CN)2)3] and [(C3H7)4N][Mn(N(CN)2)3]. Band gap energy (5.02 eV) of Cd-analogue is slightly smaller than that for its manganese counterpart (5.17 eV); values of energy gaps are determined from diffuse reflectance spectra. Upon ultraviolet excitation (266 nm) [(C3H7)4N][Cd(N(CN)2)3] exhibits intense bluish-white emission composed of two bands at 541 and 432 nm (at 80 K). Intensity of this emission decreases quickly with increasing temperature and the longer wavelength band exhibits strong blue-shift on heating to 250 K, followed by the red shift above this temperature. The Mn analogue features weaker red luminescence at 626 nm, which displays much smaller decrease in intensity on heating. Furthermore, chromaticity index of this emission shows a negligible change in the 80–350 K temperature range. Temperature-resolved second harmonic generation (TR-SHG) studies have been performed with the use of 800 nm fs laser irradiation to test the symmetry of room-temperature and high-temperature crystal phases. TR-SHG provided an ample evidence of the noncentrosymmetric nature of the room-temperature phases of both studied compounds, as well as confirmed that phase transitions near 330 and 360 K involve symmetry restoration for the Mn- and Cd-analogue, respectively. Kurtz-Perry tests revealed that SHG signal is about 2 times stronger for the Cd analogue in comparison to Mn analogue, which can be explained in terms of larger distortion of latter framework, resulting from larger off-center shifts of (C3H7)4N+ cations. © 2019 Elsevier B.V. AUTHOR KEYWORDS: Coordination polymer; Dicyanamide; Organic-inorganic hybrid; Perovskite; Thermochromic properties INDEX KEYWORDS: Blue shift; Cadmium compounds; Crystal symmetry; Energy gap; Luminescence; Manganese compounds; Metal-Organic Frameworks; Nonlinear optics; organic-inorganic materials; Organometallics; Perovskite; Positive ions; Red Shift; Coordination Polymers; Dicyanamide; Diffuse reflectance spectrum; Increasing temperatures; Nonlinear optical studies; Organic-inorganic hybrid; Thermochromic properties; Ultra violet excitation; Harmonic generation FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2017/25/B/ST5/00160 FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2017/25/B/ST5/00160 . JKZ and MN acknowledge financial support from the Faculty of Chemistry, Wrocław University of Science and Technology . JKZ is supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, Box 1410, 50-950, Poland; email: m.maczka@int.pan.wroc.pl PUBLISHER: Elsevier Ltd ISSN: 09258388 CODEN: JALCE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J Alloys Compd DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Kumar M., Nawaz Sheikh H., Franconetti A., Zaręba J.K., Sahoo S.C., Frontera A. AUTHOR FULL NAMES: Kumar, Manesh (55793189514); Nawaz Sheikh, Haq (7006576724); Franconetti, Antonio (55515082100); Zaręba, Jan K. (55882042000); Sahoo, Subash Chandra (22958946300); Frontera, Antonio (7004015277) 55793189514; 7006576724; 55515082100; 55882042000; 22958946300; 7004015277 Correction: 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π-π stacking and hydrogen bonding (New Journal of Chemistry (2019) 43 (3236) DOI: 10.1039/c8nj05701j) (2019) New Journal of Chemistry, 43 (7), pp. 3236, Cited 0 times. DOI: 10.1039/c9nj90017a https://www.scopus.com/inward/record.uri?eid=2-s2.0-85061356827&doi=10.1039%2fc9nj90017a&partnerID=40&md5=0dfdbbd5edbf093a5dd16852cfcb678f AFFILIATIONS: Department of Chemistry, University of Jammu, Baba Sahib Ambedkar Road, Jammu, 180006, India; Department of Chemistry, Universitat de les Illes Balears, Palma (Baleares), 07122, Spain; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Department of Chemistry, Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh, 160 014, India ABSTRACT: The third author’s name is incorrect in the published article. The correct author name is Antonio Franconetti, as shown above. The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. INDEX KEYWORDS: erratum CORRESPONDENCE ADDRESS: H. Nawaz Sheikh; Department of Chemistry, University of Jammu, Jammu, Baba Sahib Ambedkar Road, 180006, India; email: hnsheikh@rediffmail.com PUBLISHER: Royal Society of Chemistry ISSN: 11440546 CODEN: NJCHE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: New J. Chem. DOCUMENT TYPE: Erratum PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Antoniak M.A., Wawrzyńczyk D., Zarȩba J.K., Samoć M., Nyk M. AUTHOR FULL NAMES: Antoniak, Magda A. (55795359500); Wawrzyńczyk, Dominika (36672254900); Zarȩba, Jan K. (55882042000); Samoć, Marek (7006335493); Nyk, Marcin (8415115800) 55795359500; 36672254900; 55882042000; 7006335493; 8415115800 Spectrally resolved two-photon absorption properties and switching of the multi-modal luminescence of NaYF4:Yb,Er/CdSe hybrid nanostructures (2018) Journal of Materials Chemistry C, 6 (22), pp. 5949 - 5956, Cited 11 times. DOI: 10.1039/c8tc00969d https://www.scopus.com/inward/record.uri?eid=2-s2.0-85048309000&doi=10.1039%2fc8tc00969d&partnerID=40&md5=07d8c0d4a4d8288a37f19ebbcdd79077 AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, Wroclaw, 50-370, Poland ABSTRACT: Spectrally resolved femtosecond nonlinear optical study in the range of 950-1350 nm has been conducted for three colloidal NaYF4:Yb,Er/CdSe hybrid nanostructures, which differ in the size of the surface decorating CdSe quantum dots (6.6, 6.8 and 7.0 nm). The two-photon absorption cross sections σ2 of the hybrid nanoconstructs are as large as 2.55 × 105 GM in the near-infrared region (∼1150 nm); their very good nonlinear absorption properties being imparted by the CdSe nanoparticles. Further, we demonstrate that by merging NaYF4:Yb,Er and the CdSe nanoparticles into hybrid materials, it is possible to combine their mechanistically distinct two-photon-induced luminescence properties. Indeed, we report the switching of multi-modal luminescence of the colloidal NaYF4:Yb,Er/CdSe hybrid nanomaterials, in which both constituents can be excited separately or simultaneously, depending on the selection of the excitation source. The emissive modes include visible up-conversion and near-infrared emission of erbium(iii) ions doping the NaYF4 core, as well as one- or two-photon induced band-gap luminescence of the outer layer, comprising the CdSe quantum dots. Toggling between the emission modes is achieved by single or dual beam excitation of the respective components, using a continuous wave 980 nm laser diode for NaYF4:Yb,Er nanoparticle emission, and femtosecond laser near-infrared pumping for CdSe quantum dot band-gap emission. The Förster resonance energy transfer between both optically active components of the synthesized hybrid nanostructures, i.e. up-converting nanoparticles (donor) → quantum dots (acceptor), has been determined to have 2.5% to 6% efficiency, depending on the size of the participating CdSe nanoparticles. Finally, we show that the multimodal luminescence properties of these hybrid nanomaterials can be potentially employed for 2D anti-counterfeiting applications. © The Royal Society of Chemistry 2018. INDEX KEYWORDS: Cadmium compounds; Energy gap; Energy transfer; Erbium compounds; Hybrid materials; II-VI semiconductors; Infrared devices; Laser excitation; Luminescence of inorganic solids; Mobile devices; Nanocrystals; Nanoparticles; Nanostructured materials; Nonlinear optics; Photons; Pumping (laser); Quantum dot lasers; Selenium compounds; Semiconductor quantum dots; Sodium compounds; Synthesis (chemical); Two photon processes; Ytterbium compounds; Yttrium compounds; Hybrid nanostructures; Luminescence properties; Nanoparticle emissions; Near-infrared emissions; Nonlinear absorption properties; Nonlinear optical studies; Two photon absorption; Two-photon absorption cross section; Fluorine compounds FUNDING DETAILS: Polish Ministry of Science and Higher Education FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Narodowe Centrum Nauki, NCN, DEC-2013/10/A/ST4/00114 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: We acknowledge support from the National Science Centre under ‘‘Maestro’’ DEC-2013/10/A/ST4/00114 grant and a statutory activity subsidy from the Polish Ministry of Science and Higher Education for the Faculty of Chemistry of the Wroclaw University of Science and Technology. JKZ is supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: M. Nyk; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, Wybrzeze Wyspianskiego 27, 50-370, Poland; email: marcin.nyk@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mahmoudi G., Zarȩba J.K., Bauzá A., Kubicki M., Bartyzel A., Keramidas A.D., Butusov L., Mirosław B., Frontera A. AUTHOR FULL NAMES: Mahmoudi, Ghodrat (15765751200); Zarȩba, Jan K. (55882042000); Bauzá, Antonio (37032758600); Kubicki, Maciej (7005646655); Bartyzel, Agata (6506674071); Keramidas, Anastasios D. (6701597778); Butusov, Leonid (55349731000); Mirosław, Barbara (24759150800); Frontera, Antonio (7004015277) 15765751200; 55882042000; 37032758600; 7005646655; 6506674071; 6701597778; 55349731000; 24759150800; 7004015277 Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: Prevalence of chelate ring stacking and substituent effects (2018) CrystEngComm, 20 (8), pp. 1065 - 1076, Cited 40 times. DOI: 10.1039/c7ce02166f https://www.scopus.com/inward/record.uri?eid=2-s2.0-85042378865&doi=10.1039%2fc7ce02166f&partnerID=40&md5=0e2fb8103a1b87be0b2e168fc46da8de AFFILIATIONS: Department of Chemistry, Faculty of Science, University of Maragheh, P.O. Box 55181-83111, Maragheh, Iran; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma (Baleares), 07122, Spain; Faculty of Chemistry, Adam Mickiewicz University in Poznan, Umultowska 89b, Poznań, 61-614, Poland; Department of General and Coordination Chemistry, Maria Curie-Skłodowska University, Sq. 2, Lublin, 20-031, Poland; Department of Chemistry, University of Cyprus, Nicosia, 1678, Cyprus; Peoples' Friendship University of Russia, Moscow, Russian Federation; Department of Crystallography, Faculty of Chemistry, Maria Curie-Sklodowska University, Pl. Marii Curie-Sklodowskiej 3, Lublin, 20-031, Poland ABSTRACT: In recent years, the crystal engineering library has been enriched with a number of previously unrecognized or unnoticed intermolecular interactions, such as agostic, tetrel, chalcogen, pnicogen bonding and chelate ring stacking-collectively referred to as "unconventional interactions". Many open questions remain unaddressed regarding their ability to form synthon interactions, specificity, and cooperativity, for example with π-π stacking interactions. In this work, we throw light on the formation of chelate ring stacking in metal-organic assemblies of nicotinohydrazide ligands (N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide (HL) and N′-(phenyl(pyridin-2-yl)methylene)nicotinohydrazide (HL1)) with mercury(ii) halide (HgBr2, HgI2) salts. Their reaction produced five compounds, namely [Hg(μ-L)BrHgBr2]n (1), [Hg(μ-L1)Br]n (2), [Hg(L)I2] (3), [Hg(HL1)I2]·(CH3OH) (4), and [Hg(μ-L1)I]n (5). Crystal structure analysis reveals that chelate ring stackings are formed in four of the reported metal-organic compounds, and are common also in the literature precedents. The energies of chelate ring stackings and π-π heterocycle stackings have been computed and analyzed by means of DFT calculations, and the results were verified using Bader's theory of "atoms in molecules". These results provide a rationale for preferential formation of both unconventional and conventional stackings and allow us to conclude that chelate ring interaction may be considered as a synthon interaction for nicotinohydrazide metal complexes. Interpretations for packing differences imposed by the substituent effect (substitution of methyl group in HL for phenyl group in HL1) were provided based on the Hirshfeld surface analysis and 2D fingerprint plots of the crystal structures reported here. © 2018 The Royal Society of Chemistry. FUNDING DETAILS: Wrocław University of Science and Technology FUNDING DETAILS: Comprehensive Transplant Institute, University of Alabama at Birmingham, CTI FUNDING DETAILS: Federación Española de Enfermedades Raras, FEDER FUNDING DETAILS: Ministerio de Economía y Competitividad, MINECO, CTQ2014-57393-C2-1-P, CTQ2017-85821-R FUNDING DETAILS: University of Maragheh FUNDING DETAILS: European Regional Development Fund, FEDER FUNDING DETAILS: Universitat de les Illes Balears, UIB FUNDING TEXT 1: GM is grateful to the University of Maragheh for the financial support of this research. AB and AF thank the MINECO of Spain (project CTQ2014-57393-C2-1-P and CTQ2017-85821-R, FEDER funds) for funding and the CTI (UIB) for free allocation of computer time. JKZ acknowledges financial support from the Wrocław University of Science and Technology. CORRESPONDENCE ADDRESS: G. Mahmoudi; email: mahmoudi_ghodrat@yahoo.co.uk PUBLISHER: Royal Society of Chemistry ISSN: 14668033 CODEN: CRECF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Crystengcomm DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Alvarez-Lorenzo C., Castiñeiras A., Frontera A., Garciá-Santos I., González-Pérez J.M., Niclós-Gutiérrez J., Rodríguez-González I., Vílchez-Rodríguez E., Zarȩba J.K. AUTHOR FULL NAMES: Alvarez-Lorenzo, C. (7004396916); Castiñeiras, A. (7006710796); Frontera, A. (7004015277); Garciá-Santos, I. (6506191063); González-Pérez, J.M. (7003922064); Niclós-Gutiérrez, J. (7003983327); Rodríguez-González, I. (55100169100); Vílchez-Rodríguez, E. (56022538200); Zarȩba, J.K. (55882042000) 7004396916; 7006710796; 7004015277; 6506191063; 7003922064; 7003983327; 55100169100; 56022538200; 55882042000 Recurrent motifs in pharmaceutical cocrystals involving glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations (2020) CrystEngComm, 22 (40), pp. 6674 - 6689, Cited 17 times. DOI: 10.1039/d0ce01064b https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094218147&doi=10.1039%2fd0ce01064b&partnerID=40&md5=e4ebbea1ebb228fa1d011673030f9d04 AFFILIATIONS: Department of Pharmacy and Pharmaceutical Technology, University of Santiago de Compostela, Santiago de Compostela, 15782, Spain; Department of Inorganic Chemistry, University of Santiago de Compostela, Santiago de Compostela, 15782, Spain; Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma de Mallorca Baleares, 07122, Spain; Department of Inorganic Chemistry, University of Granada, Granada, 18071, Spain; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland ABSTRACT: Over the past several decades, the possibility of joining together compounds in one crystal lattice via well-defined intermolecular forces to shape drug-delivery relevant features, e.g. solubility, has fuelled the development of crystal engineering in both the academia and the pharmaceutical industry. Cocrystal approaches are particularly useful if both components feature bioactivity and are well tolerated. Cocrystals of glycolic acid (GA) with picolinamide (PA), nicotinamide (NA), isonicotinamide (INA), caffeine (CA), a theophylline (TP) solvate with formamide (FA) and an ammonium glycolate solvate with glycolic acid were prepared and characterized by elemental analysis, X-ray powder diffraction, IR and NMR spectroscopy, and single crystal X-ray diffraction. The prepared compounds had the compositions [NH4][GA-H]·(GA) (1), (PA)/(GA) (2), 2(NA)/(GA) (3), (IN)/(GA) (4), (CA)/2(GA) (5) and (TP)·(FA) (6). The self-assembled supramolecular architectures were governed by hydrogen bonds and, in some cases, by aromatic donor-acceptor interactions. The analysis of the crystalline structures revealed the existence of characteristic heterosynthons, with the hydrogen bonding motif R22(8) (primary amide-carboxylic acid) being the most common between the molecules of the pyridinecarboxamides and the glycolic acid. Synthons featuring different graph set motifs, involving N-HO, O-HN and N-HN bonds, also manifest themselves among the coformer molecules. Hirshfeld surface analysis revealed that the contribution of OH/HO contacts of the GA molecule is largely dependent on the structure of the amide component and, particularly, on its ability to form cyclic hydrogen-bonded ring motifs. The effect of the protonation state of glycolic acid molecules on the HS and 2D fingerprint plot properties was found to be limited. The thermal behaviour of the cocrystals and pure conformers was studied by thermogravimetry and differential scanning calorimetry. The contribution of each individual hydrogen bond to the formation energies of the supramolecular assemblies observed in the solid state of compounds 2-6 was estimated using the quantum theory of "atoms-in-molecules". This methodology allowed us to identify the energetically most favourable H-bonds. We have tested two energy predictors based on the AIM energies at the bond CPs and the one using the Lagrangian kinetic energy was more reliable. This journal is © The Royal Society of Chemistry. INDEX KEYWORDS: Amides; Complexation; Differential scanning calorimetry; Drug delivery; Hydraulic structures; Kinetic energy; Kinetics; Molecules; Nuclear magnetic resonance spectroscopy; Quantum theory; Single crystals; Supramolecular chemistry; Surface analysis; Thermogravimetric analysis; X ray powder diffraction; Hydrogen bonding motifs; Inter-molecular forces; IR and NMR spectroscopy; Pharmaceutical industry; Single crystal x-ray diffraction; Supramolecular architectures; Supramolecular assemblies; X-ray characterization; Hydrogen bonds FUNDING DETAILS: MICIU/AEI of Spain, CTQ2017-85821-R FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: The Excellence Network “Metal Ions in Biological Systems” MetalBio CTQ2017-90802-REDT and the Research Group FQM-283 (Junta de Andalucía) are gratefully acknowledged. J. K. Z. acknowledges financial support from Wroclaw University of Science and Technology. J. K. Z. is supported by the Foundation for Polish Science. A. F. thanks MICIU/AEI of Spain (project CTQ2017-85821-R FEDER funds) for financial support. CORRESPONDENCE ADDRESS: A. Castiñeiras; Department of Inorganic Chemistry, University of Santiago de Compostela, Santiago de Compostela, 15782, Spain; email: alfonso.castineiras@usc.es PUBLISHER: Royal Society of Chemistry ISSN: 14668033 CODEN: CRECF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Crystengcomm DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Hornum M., Reinholdt P., Zarȩba J.K., Jensen B.B., Wüstner D., Samoć M., Nielsen P., Kongsted J. AUTHOR FULL NAMES: Hornum, Mick (56110105100); Reinholdt, Peter (56734448200); Zarȩba, Jan K. (55882042000); Jensen, Brian B. (57209237212); Wüstner, Daniel (57203422024); Samoć, Marek (7006335493); Nielsen, Poul (57203491188); Kongsted, Jacob (6603618578) 56110105100; 56734448200; 55882042000; 57209237212; 57203422024; 7006335493; 57203491188; 6603618578 One- And two-photon solvatochromism of the fluorescent dye Nile Red and its CF3, F and Br-substituted analogues (2020) Photochemical and Photobiological Sciences, 19 (10), pp. 1382 - 1391, Cited 13 times. DOI: 10.1039/d0pp00076k https://www.scopus.com/inward/record.uri?eid=2-s2.0-85092945830&doi=10.1039%2fd0pp00076k&partnerID=40&md5=58031741fe577d66b0b6c8c5af56eab2 AFFILIATIONS: Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense M, DK-5230, Denmark; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 29, Wroclaw, 50-370, Poland; Department of Biochemistry and Molecular Biology, University of Southern Denmark, Campusvej 55, Odense M, DK-5230, Denmark ABSTRACT: The solvatochromic fluorophore Nile Red, 9-diethylamino-5H-benzo[a]phenoxazine-5-one, is one of the most commonly used stains to enhance contrast of lipid-rich areas of microscopic biosamples. Quite surprisingly, relatively little is known about the spectrally-resolved two-photon absorption (2PA) properties of this dye despite its promising features for two-photon microscopy of biological matter. For this reason, the two-photon solvatochromism of Nile Red still remains an uncharted territory as well. Also, no study has yet reported on how electron-withdrawing substituents attached to the Nile Red backbone affect its solvatochromic properties and two-photon brightness. In this paper, we demonstrate how solvent polarity influences the one- and two-photon absorption spectra of Nile Red as well as its fluorescence parameters, and we present new analogues that contain -CF3, -F and -Br substituents on its eastern side. Two-photon excited fluorescence experiments in a broad spectral range (780-1240 nm) and electronic structure calculations show that both the nature and location of the substituent have particular influence on the strength of 2PA, peaking in all cases at approx. 860 and 1050 nm. 2PA cross sections are higher at 1050 nm than at 860 nm, which suggests that Nile Red and its analogues are best suited for two-photon imaging employing excitation in the NIR-II optical transparency window of biological tissues. © 2020 The Royal Society of Chemistry and Owner Societies. INDEX KEYWORDS: Density Functional Theory; Fluorescent Dyes; Hydrocarbons, Halogenated; Molecular Structure; Oxazines; Photons; Spectrometry, Fluorescence; Dyes; Electronic structure; Fluorescence; Photons; Solvents; fluorescent dye; halogenated hydrocarbon; nile red; oxazine derivative; Electron-withdrawing substituents; Electronic structure calculations; Fluorescence parameters; Solvatochromic properties; Two photon absorption (2PA); Two photon microscopy; Two-photon absorption spectrum; Two-photon excited fluorescence; chemical structure; chemistry; density functional theory; photon; spectrofluorometry; Two photon processes FUNDING DETAILS: Natural Sciences FUNDING DETAILS: Wrocław University of Science and Technology FUNDING DETAILS: Natur og Univers, Det Frie Forskningsråd, FNU, DFF FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2016/22/M/ST4/00275 FUNDING DETAILS: Fujian Normal University, DFF-7014-00050B FUNDING TEXT 1: We acknowledge the Danish Council for Independent Research—Natural Sciences (DFF–FNU) for financial support (Grant ID: DFF-7014-00050B). JKZ and MS acknowledge the support from National Science Centre (NCN, Poland) under Harmonia grant 2016/22/M/ST4/00275 and support from Wrocław University of Science and Technology. JKZ is supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: M. Hornum; Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense M, Campusvej 55, DK-5230, Denmark; email: hornum@sdu.dk PUBLISHER: Royal Society of Chemistry ISSN: 1474905X CODEN: PPSHC PUBMED ID: 32869822 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Photochem. Photobiol. Sci. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Zareba J.K., Nyk M., Samoć M. AUTHOR FULL NAMES: Zareba, Jan K. (55882042000); Nyk, Marcin (8415115800); Samoć, Marek (7006335493) 55882042000; 8415115800; 7006335493 Co/ZIF-8 Heterometallic Nanoparticles: Control of Nanocrystal Size and Properties by a Mixed-Metal Approach (2016) Crystal Growth and Design, 16 (11), pp. 6419 - 6425, Cited 83 times. DOI: 10.1021/acs.cgd.6b01090 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84994376881&doi=10.1021%2facs.cgd.6b01090&partnerID=40&md5=da8a7f3f754a0384c4839bb16517ae73 AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: A mixed-metal approach has been used to control the size and physicochemical properties of heterometallic Co/ZIF-8 nanomaterials. Intentional substitution of zinc with cobalt in a broad concentration range (from 0 to 100 molar percent with a 10% step) provided a series of Co/ZIF-8 nanoparticles, whose sizes could be tuned in the range from 20 to over 500 nm in diameter. Zinc ions from the ZIF-8 matrix were found to be uniformly substituted with the cobalt ions. The increase of nanoparticles size resulted in a change of their nitrogen sorption-desorption characteristics due to decreasing participation of the external surface area in the total surface area. Insights from UV-vis-NIR and IR spectroscopies, as well as remarks on nonlinear optical properties are also provided. © 2016 American Chemical Society. INDEX KEYWORDS: Cobalt; Metallic compounds; Nanoparticles; Nonlinear optics; Optical properties; Zinc; Concentration ranges; Desorption characteristics; Nanocrystal sizes; Nanoparticles sizes; Nitrogen sorption; Non-linear optical properties; Physicochemical property; Total surface area; Metal nanoparticles CORRESPONDENCE ADDRESS: J.K. Zareba; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wrocław, Wybrzeze Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: American Chemical Society ISSN: 15287483 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Rejnhardt P., Zaręba J.K., Katrusiak A., Daszkiewicz M. AUTHOR FULL NAMES: Rejnhardt, Piotr (57203975725); Zaręba, Jan K. (55882042000); Katrusiak, Andrzej (7006665420); Daszkiewicz, Marek (15077866700) 57203975725; 55882042000; 7006665420; 15077866700 Deuteration-Enhanced Negative Thermal Expansion and Negative Area Compressibility in a Three-Dimensional Hydrogen Bonded Network (2023) Chemistry of Materials, 35 (13), pp. 5160 - 5167, Cited 0 times. DOI: 10.1021/acs.chemmater.3c00870 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85164503851&doi=10.1021%2facs.chemmater.3c00870&partnerID=40&md5=935c2fdd0c05fc2de59d67ac50f13894 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, Wrocław, 50-422, Poland; Faculty of Chemistry, University of Warsaw, Pasteura 1, Warszawa, 02-093, Poland; Institute of Advanced Materials, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego27, Wrocl̷aw, 50-370, Poland; Faculty of Chemistry, Adam Mickiewicz University, Uniwersytetu Poznańskiego 8, Poznań, 61-614, Poland ABSTRACT: Negative area compressibility (NAC) and negative thermal expansion (NTE) are material behaviors raising high hope for applications such as ultrasensitive manometry and thermometry. However, the group of NAC materials is primarily limited to two-dimensional (2D) coordination compounds whose layered structure is prone to bidirectional compression when pressurized. Here, we report an alternative strategy that does not employ the formation of metal-organic systems but takes advantage of the pliability of hydrogen-bonded networks for searching materials with very rare NLC and NAC behaviors. Indeed, a strong NAC property, coupled with large NTE, has been identified for the hydrogen-bonded hydrochloride salt of L-arginine homologue (S)-2-amino-3-guanidinopropanoic acid monochloride - (HAmGP)Cl and its deuterated analogue - (DAmGP)Cl. While both structures feature isostructural phase transition at ca. 0.88 GPa, it is discovered that the replacement of protium with deuterium significantly boosts NAC magnitudes: phase II of (DAmGP)Cl features over two-fold higher negative area compressibility coefficient than that of the nondeuterated analogue (β2,3 = −17.6(27) TPa-1 for (DAmGP)Cl vs −7.9(38) TPa-1 for HAmGP)Cl. Remarkably, the obtained value is the second largest area compressibility coefficient known for any material. What is more, deuteration enhances also the NTE property (α2 = −23.4(22) vs −16.1(31) MK-1 for (DAmGP)Cl and (HAmGP)Cl, respectively) of the investigated supramolecular network. Our research opens new paths to the preparation of organic hydrogen-bonded materials with unique mechanical responsiveness to temperature and pressure stimuli. © 2023 The Authors. Published by American Chemical Society INDEX KEYWORDS: Amino acids; Compressibility; Deuterium; Hydrogen bonds; Organometallics; Thermal expansion; Area compressibility; Compressibility coefficient; Coordination compounds; Deuterations; Hydrogen bonded network; Layered Structures; Manometry; Material behaviour; Two-dimensional; Ultrasensitive; Negative thermal expansion FUNDING DETAILS: ILT&SR PAS, 2019/5 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: We would like to thank Prof. Jan Baran, ILT&SR PAS, for the measurements of the IR spectra. Prof. Elżbieta Wojaczyńska, Wroclaw University of Science and Technology, is gratefully acknowledged for the measurement and analysis of NMR spectra. P.R. and M.D. would like to thank ILT&SR PAS for financial support by statutory activity subsidy, no. 2019/5. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: P. Rejnhardt; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, Okólna 2, 50-422, Poland; email: p.rejnhardt@chem.uw.edu.pl; M. Daszkiewicz; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, Okólna 2, 50-422, Poland; email: m.daszkiewicz@intbs.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Kumar M., Qiu C.-Q., Zarȩba J.K., Frontera A., Jassal A.K., Sahoo S.C., Liu S.-J., Sheikh H.N. AUTHOR FULL NAMES: Kumar, Manesh (55793189514); Qiu, Cheng-Qiang (57211030220); Zarȩba, Jan K. (55882042000); Frontera, Antonio (7004015277); Jassal, Amanpreet Kaur (56021043200); Sahoo, Subash Chandra (22958946300); Liu, Sui-Jun (55207532400); Sheikh, Haq Nawaz (7006576724) 55793189514; 57211030220; 55882042000; 7004015277; 56021043200; 22958946300; 55207532400; 7006576724 Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker (2019) New Journal of Chemistry, 43 (36), pp. 14546 - 14564, Cited 28 times. DOI: 10.1039/c9nj03664d https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072317903&doi=10.1039%2fc9nj03664d&partnerID=40&md5=2397137f2c94daf458b31bb8d9ce215a AFFILIATIONS: Department of Chemistry, University of Jammu, Baba Sahib Ambedkar Road, Jammu, 180006, India; School of Chemistry and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou, Jiangxi Province, 341000, China; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology Wyb, Wyspiańskiego 27, Wrocław, 50370, Poland; Departament de Química, Universitat de les Illes Balears Crta de Valldemossa Km 7.5, Palma de Mallorca Baleares, 07122, Spain; Schulich Faculty of Chemistry, Technion-Israel Institute of Technology, Technion Haifa, 3200008, Israel; Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh, 160014, India ABSTRACT: Lanthanide coordination polymers (CPs) have attracted great interest for the development of new functional materials since they possess great structural complexity and a plethora of magneto-optical properties. Hence, herein, we studied the structural, topological, magnetic and optical properties of eight lanthanide CPs based on the very simple ligand glutaric acid (H2Glu):{[Ln(Glu)1.5(H2O)]·xH2O}n; (1), (2), (3) and (4), {[Ln2(Glu)3(DMF)(H2O)]·H2O}n; (5) and (6) and [Ln2(Glu)3(H2O)4]n (7) and (8) [Ln = Tb (1), Sm (2), Eu (3), Gd (4), Dy (5), Pr (6), Eu (7) and Gd (8); Glu = glutarate dianion, DMF = dimethylformamide; x = 2 for CPs 1, 2 and 4 and x = 0 for CP 3]. From a structural point of view, four different coordination modes were noted for the glutarate linker, specifically, (μ2-κ4, η2:η2), (μ3-κ5, η1:η2:η2), (μ4-κ6, η1:η2:η1:η2) and (μ4-κ5, η1:η1:η1:η2). The classification of the geometries of the coordination spheres showed that all the CPs feature muffin geometry with the exception of Dy2, Pr1 and Gd2 in CPs 5, 6 and 8, respectively, which are best described by the spherical monocapped square antiprismatic geometry. The topological simplification and classification of the coordination nets revealed that the topological types are strongly dependent on the metal-To-ion ratio in the resulting CP. The tcs topological type was observed in 1-4, which to date has predominantly appeared in CPs possessing two different ligands. This observation was ascribed to the high coordination number of the metal node based on the analysis of literature precedents. CPs 5 and 6 featured a four-nodal 3,3,3,9-connected net with the {411.616.89}{42.6}{43}{43} point symbol, which is unknown to date. The magnetic studies identified the presence of a strong magnetocaloric effect in the gadolinium CP 8. The value of the volume-normalized entropy parameter-ΔSmaxm was 62.4 mJ cm-3 K-1 at 2 K and ΔH = 7 T. The magnetocaloric effect was much larger than that for most reported Gd3+-based coordination compounds, and it was ascribed to the high magnetic density of the CP. For dysprosium CP 5, the presence of a slow magnetic relaxation process was detected based on the analysis of the frequency-dependent studies. CPs 1 (Tb3+), 2 (Sm3+), 3 and 7 (Eu3+) displayed characteristic f-f photoluminescence in the visible spectral region. Finally, DFT calculations were performed to analyze the hydrogen bonding interactions between the coordinated and non-coordinated water molecules and glutarate-based metallomacrocycles and to quantify the influence of metal coordination on the strength of the hydrogen bonds. © 2019 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. INDEX KEYWORDS: coordination compound; glutaric acid; lanthanide; polymer; Article; chemical structure; density functional theory; entropy; geometry; hydrogen bond; luminescence; optics; photoluminescence; priority journal; supramolecular chemistry; theoretical study FUNDING DETAILS: Faculty of Chemistry, Wroclaw University of Science and Technology, Poland FUNDING DETAILS: MINECO/AEI of Spain, CTQ2017-85821-R FUNDING DETAILS: National Natural Science Foundation of China, NSFC, 21501077 FUNDING DETAILS: University Grants Committee, UGC FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Natural Science Foundation of Jiangxi Province, 20171BCB23066, 20192BAB203001 FUNDING DETAILS: European Regional Development Fund, FEDER FUNDING TEXT 1: We gratefully acknowledge Department of Physics, SMVDU Katra, SAIF Chandigarh, IIT Indore and department of chemistry, university of Jammu for technical support. M. K. is grateful to UGC, New Delhi, India for financial support (SRF Fellowship, Reference no.: 20/ 12/2015(ii) Eu-V). JKZ acknowledges financial support from Faculty of Chemistry, Wroclaw University of Science and Technology, Poland. JKZ is also supported by the Foundation for Polish Science (FNP). S.-J. Liu acknowledges the National Natural Science Foundation of China (21501077) and the Natural Science Foundation of Jiangxi Province (20171BCB23066 and 20192BAB203001). SCS thanks to DST-FIST for single crystal X-ray facility at PU. A. F. thanks the MINECO/AEI of Spain (project CTQ2017-85821-R, FEDER funds). We thank the CTI (UIB) for computational facilities. CORRESPONDENCE ADDRESS: H.N. Sheikh; Department of Chemistry, University of Jammu, Jammu, Baba Sahib Ambedkar Road, 180006, India; email: hnsheikh@rediffmail.com PUBLISHER: Royal Society of Chemistry ISSN: 11440546 CODEN: NJCHE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: New J. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Zaręba J.K., Nyk M., Samoć M. AUTHOR FULL NAMES: Zaręba, Jan K. (55882042000); Nyk, Marcin (8415115800); Samoć, Marek (7006335493) 55882042000; 8415115800; 7006335493 Nonlinear Optical Properties of Emerging Nano- and Microcrystalline Materials (2021) Advanced Optical Materials, 9 (23), art. no. 2100216, Cited 34 times. DOI: 10.1002/adom.202100216 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85106236486&doi=10.1002%2fadom.202100216&partnerID=40&md5=a6f81a117380986503dd40eb5894d9ff AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: The activity in the research on novel optical materials exhibiting nonlinear optical (NLO) properties is surveyed, especially nonlinear absorption, that may be attractive for various applications, including those in optoelectronics, photonics, and biophotonics. The recently introduced concept of “NLO pigments”—insoluble colored materials that can exhibit useful NLO effects—is demonstrated to apply to the multifunctional group of coordination polymers (CPs) and their subgroup of metal-organic frameworks (MOFs), which may be applied in their microcrystalline form or as nanoparticles. Nanocrystalline materials such as semiconductor quantum dots or plasmonic particles made of noble metals have been widely studied and their properties have been often reviewed, thus they are not included in this review. On the other hand, studies performed on perovskites are described: materials that appear to have great potential for NLO applications in addition to their well-known merit in photovoltaics. There is also much activity in the field of low-dimensional, especially 2D structures of various kinds, and this review covers many examples of such structures, not including the broad topic of carbon nanostructures (graphene, nanotubes etc.) but concentrating on other emerging nonlinear optical materials such as black phosphorus, transition metal dichalcogenides, MXenes, and topological insulators. © 2021 Wiley-VCH GmbH AUTHOR KEYWORDS: black phosphorus; coordination polymers; metal-organic frameworks; nonlinear optics; perovskites; reverse saturable absorption; two-photon absorption INDEX KEYWORDS: Black Phosphorus; Metal nanoparticles; Metal-Organic Frameworks; Microcrystals; Nanocrystalline materials; Nanocrystals; Optical materials; Optical properties; Organic polymers; Organometallics; Perovskite; Photonics; Semiconductor quantum dots; Transition metals; Carbon Nanostructures; Coordination Polymers; Metalorganic frameworks (MOFs); Microcrystalline materials; Non-linear optical material; Nonlinear absorptions; Nonlinear optical properties; Transition metal dichalcogenides; Nonlinear optics FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2018/29/B/ST4/02172, 2018/30/E/ST5/00718 FUNDING TEXT 1: M.N. acknowledges support from the National Science Centre of Poland (NCN) under Grant no. 2018/30/E/ST5/00718. M.S. acknowledges financial support from the NCN under Grant no. 2018/29/B/ST4/02172. CORRESPONDENCE ADDRESS: M. Samoć; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wrocław, Wyb. Wyspiańskiego 27, 50-370, Poland; email: marek.samoc@pwr.edu.pl PUBLISHER: John Wiley and Sons Inc ISSN: 21951071 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Adv. Opt. Mater. DOCUMENT TYPE: Review PUBLICATION STAGE: Final SOURCE: Scopus Mahmoudi G., Zaręba J.K., Gurbanov A.V., Bauzá A., Zubkov F.I., Kubicki M., Stilinović V., Kinzhybalo V., Frontera A. AUTHOR FULL NAMES: Mahmoudi, Ghodrat (15765751200); Zaręba, Jan K. (55882042000); Gurbanov, Atash V. (26422948300); Bauzá, Antonio (37032758600); Zubkov, Fedor I. (6603592191); Kubicki, Maciej (7005646655); Stilinović, Vladimir (55917368100); Kinzhybalo, Vasyl (16031058500); Frontera, Antonio (7004015277) 15765751200; 55882042000; 26422948300; 37032758600; 6603592191; 7005646655; 55917368100; 16031058500; 7004015277 Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4S2 Coordination Spheres (2017) European Journal of Inorganic Chemistry, 2017 (40), pp. 4763 - 4772, Cited 53 times. DOI: 10.1002/ejic.201700955 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85033207386&doi=10.1002%2fejic.201700955&partnerID=40&md5=06b87d5ba666f525668119f3a121d8fa AFFILIATIONS: Department of Chemistry, Faculty of Science, University of Maragheh, P. O. Box 55181-83111, Maragheh, Iran; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Department of Chemistry, Baku State University, Z. Khalilov str. 23, Baku, AZ 1148, Azerbaijan; Organic Chemistry Department, RUDN University, Moscow, 117198, Russian Federation; Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma (Baleares), 07122, Spain; Faculty of Chemistry, Adam Mickiewicz University in Poznan, Umultowska 89b, Poznan, 61-614, Poland; Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, Zagreb, 10000, Croatia; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, Wrocław, 50-422, Poland ABSTRACT: In this study, we examine the coordination chemistry of benzyl dihydrazone and thiosemicarbazone Schiff bases featuring different chelation modes, steric bulk, and reactivities towards cobalt(II) thiocyanate. The tetradentate benzyl dihydrazone ligands coordinate to the Co(SCN)2 fragment to form CoN6 coordination spheres (1–3), whereas the thiosemicarbazone ligands provide CoIII complexes featuring CoN4S2 coordination spheres (4 and 5) and charge-balancing anions {SCN– and [Co(SCN)4]2– for 4 and 5, respectively}. Hirshfeld surface (HS) analysis revealed a substituent effect that results in an increasing number of H···H contacts in the order –H < –CH3 < –Ph (1–3, respectively). The H bonding in 4 and 5 as well as the associated energies were computed by the DFT approach, and these interactions appear to be crucial for the formation of the supramolecular systems. The DFT study also suggested that the H-bonded dimers in 5 are examples of the recently described “antielectrostatic” H bonds. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim AUTHOR KEYWORDS: Hirshfeld surface analysis; Hydrogen bonds; Ligand effects; Noncovalent interactions; Schiff bases INDEX KEYWORDS: Cobalt compounds; Complexation; Dimers; Ions; Ligands; Phenols; Spheres; Supramolecular chemistry; Surface analysis; Base effect; Coordination sphere; Hirshfeld surface analyse; Hirshfeld surfaces; Ligands effect; Non-covalent interaction; Schiff-base; Supramolecular arrangement; Thiocyanate complexes; Thiosemicarbazones; Hydrogen bonds FUNDING DETAILS: DGICYT FUNDING DETAILS: RUDN University Program 5-100 FUNDING DETAILS: Wrocław University of Science and Technology FUNDING DETAILS: Comprehensive Transplant Institute, University of Alabama at Birmingham, CTI FUNDING DETAILS: Kommission für Technologie und Innovation, CTI FUNDING DETAILS: Federación Española de Enfermedades Raras, FEDER FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING DETAILS: Dirección General de Investigación Científica y Técnica, DGICT FUNDING DETAILS: University of Maragheh FUNDING DETAILS: European Regional Development Fund, FEDER, CTQ2014-57393-C2-1-P FUNDING TEXT 1: This publication was supported by the RUDN University Program 5-100. We are grateful to the University of Maragheh for the financial support of this research. A. B. and A. F. thank Direc-ción General de Investigación Científica y Técnica (DGICYT) of Spain (Fondos Europeos para el Desarrollo Regional (FEDER) funds, project CTQ2014-57393-C2-1-P) for funding and the CTI (UIB) for free allocation of computer time. J. K. Z acknowledges financial support from Wrocław University of Science and Technology. FUNDING TEXT 2: This publication was supported by the RUDN University Program 5-100. We are grateful to the University of Maragheh for the financial support of this research. A. B. and A. F. thank Dirección General de Investigación Científica y Técnica (DGICYT) of Spain (Fondos Europeos para el Desarrollo Regional (FEDER) funds, project CTQ2014-57393-C2-1-P) for funding and the CTI (UIB) for free allocation of computer time. J. K. Z acknowledges financial support from Wrocław University of Science and Technology. CORRESPONDENCE ADDRESS: G. Mahmoudi; Department of Chemistry, Faculty of Science, University of Maragheh, Maragheh, P. O. Box 55181-83111, Iran; email: mahmoudi_ghodrat@yahoo.co.uk PUBLISHER: Wiley-VCH Verlag ISSN: 14341948 CODEN: EJICF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Eur. J. Inorg. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mirzaei M., Sadeghi F., Molčanov K., Zarȩba J.K., Gomila R.M., Frontera A. AUTHOR FULL NAMES: Mirzaei, Masoud (13103515900); Sadeghi, Fereshteh (57209234739); Molčanov, Krešimir (9334344000); Zarȩba, Jan K. (55882042000); Gomila, Rosa M. (6602585273); Frontera, Antonio (7004015277) 13103515900; 57209234739; 9334344000; 55882042000; 6602585273; 7004015277 Recurrent Supramolecular Motifs in a Series of Acid-Base Adducts Based on Pyridine-2,5-Dicarboxylic Acid N-Oxide and Organic Bases: Inter- And Intramolecular Hydrogen Bonding (2020) Crystal Growth and Design, 20 (3), pp. 1738 - 1751, Cited 24 times. DOI: 10.1021/acs.cgd.9b01475 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85080916153&doi=10.1021%2facs.cgd.9b01475&partnerID=40&md5=170ad07b8b34b0b5a26ab8a6920d9a28 AFFILIATIONS: Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran; Rudjer Bošković Institute, Bijenička 54, Zagreb, HR-10000, Croatia; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50370, Poland; Department of Chemistry Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma Baleares, 07122, Spain ABSTRACT: Salts and ionic cocrystals simultaneously comprising N-oxide and carboxylic acid functional groups constitute a very fertile ground for the investigation of various proton transfer phenomena. This is because such compounds combine two types of proton transfer: that is, inter- and intramolecular hydrogen bonding in acid-base systems. To this end, a series of novel salts based on pyridine-2,5-dicarboxylic acid N-oxide (H2pydco) as an organic acid and 2,4,6-triamino-1,3,5-triazine (tata), 2-aminopyrimidine (2a-pym), 2-amino-6-methylpyridine (2a-6mpy), 1,10-phenanthroline (phen), and 9-aminoacridine (9a-acr) as organic bases have been synthesized and characterized by elemental analyses, infrared spectroscopy, and single-crystal X-ray diffraction: (Htata)+(Hpydco)- (1), (H2a-pym)+(Hpydco)- (2), (H2a-6mpy)+(Hpydco)- (3A,B), [(Hphen)+(Hpydco)-](H2pydco) (4), and [(H9a-acr)+(Hpydco)-]·EtOH (5). The unit cells of 3A and 3B differ slightly; however, 3A crystallizes in a chiral orthorhombic space group P212121, while 3B crystallizes in the achiral space group P21/n. In both cases, the asymmetric unit comprises one cation and one anion. The influence of different organic cations on the packing of Hpydco- in the crystal lattice is studied. The most important feature of these crystals is the presence of extensive O-H···O, N-H···O, N-H···N, and C-H···O hydrogen bond networks, which form base-dependent supramolecular synthons: 1, 2, and 3A,B comprise an α-aminopyridinium moiety, and all involve the hydrogen-bonded motif R2 2(8) with the Hpydco- anion. Compounds 4 and 5, which lack the α-aminopyridinium moiety, reveal different hydrogen-bonding patterns. The interaction energies of each individual hydrogen bond have been estimated using the quantum theory of "atoms-in-molecules", which led us to the identification of the energetically favorable antielectrostatic N-H···N hydrogen bonds (stabilization energy of 4.0 kcal/mol) between positively charged melaminium species in 1. It has been also established that charge-assisted hydrogen bonding does not always offer an energetic advantage over "noncharged" hydrogen bonds. With the use of Hirshfeld surface (HS) analysis we have also explored the influence of the protonation state of pydco species on the composition of contact contributions, as well as established specific properties of their 2D fingerprint plots. Finally, a comment is provided on the applicability of HS analysis for the exploration of polymorphs featuring intramolecular proton transfer. Copyright © 2020 American Chemical Society. INDEX KEYWORDS: Complexation; Infrared spectroscopy; Positive ions; Proton transfer; Pyridine; Quantum theory; Salts; Single crystals; Stereochemistry; Supramolecular chemistry; Synthesis (chemical); Charge-assisted hydrogen bonding; Hydrogen bond networks; Hydrogen-bonding patterns; Intramolecular hydrogen bonding; Intramolecular proton transfer; Orthorhombic space groups; Single crystal x-ray diffraction; Supramolecular synthons; Hydrogen bonds FUNDING DETAILS: AEI of Spain, CTQ2017-85821-R FUNDING DETAILS: Zeolite and Porous Materials Committee of Iranian Chemical Society FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Ferdowsi University of Mashhad, FUM FUNDING DETAILS: Ministerio de Economía y Competitividad, MINECO FUNDING DETAILS: Iran's National Elites Foundation, INEF FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: M.M. acknowledges financial support by the Ferdowsi University of Mashhad. M.M. is supported by the Iran Science Elites Federation and Zeolite and Porous Materials Committee of Iranian Chemical Society. M.M. gratefully acknowledges the Cambridge Crystallographic Data Centre (CCDC) for access to the CSD Enterprise. J.K.Z. acknowledges financial support from the Wroclaw University of Science and Technology. J.K.Z. is supported by the Foundation for Polish Science. A.F. thanks MINECO/AEI of Spain (project CTQ2017-85821-R FEDER funds) for financial support. CORRESPONDENCE ADDRESS: M. Mirzaei; Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran; email: mirzaeesh@um.ac.ir PUBLISHER: American Chemical Society ISSN: 15287483 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Castineiras A., García-Santos I., González-Pérez J.M., Bauzá A., Zareba J.K., Niclós-Gutiérrez J., Torres R., Vílchez E., Frontera A. AUTHOR FULL NAMES: Castineiras, Alfonso (7006710796); García-Santos, Isabel (6506191063); González-Pérez, Josefa María (7003922064); Bauzá, Antonio (37032758600); Zareba, Jan K. (55882042000); Niclós-Gutiérrez, Juan (7003983327); Torres, Rocío (57204293768); Vílchez, Esther (57204290104); Frontera, Antonio (7004015277) 7006710796; 6506191063; 7003922064; 37032758600; 55882042000; 7003983327; 57204293768; 57204290104; 7004015277 Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences (2018) Crystal Growth and Design, 18 (11), pp. 6786 - 6800, Cited 21 times. DOI: 10.1021/acs.cgd.8b01035 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85055119822&doi=10.1021%2facs.cgd.8b01035&partnerID=40&md5=473eb34d2254fbf8295622980ac5fb15 AFFILIATIONS: Department of Inorganic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, Santiago de Compostela, 15782, Spain; Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, Granada, 18071, Spain; Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma/Baleares, 07122, Spain; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wroclaw, 50370, Poland ABSTRACT: The reaction of 1,3,5-triazine-2,4,6-triamine (melamine, me) with alpha-hydroxycarboxylic acids, namely, glycolic acid (H2ga) and mandelic acid (H2ma), provided three ionic multicomponent crystal structures (MCSs) of composition: [(Hme+)(Hga-)]·1/2H2O (I), [(Hme+)(Hma-)]·dioxane·2H2O (II), and [(Hme+)(Hma-)]·(me)·DMSO·3H2O (III). Those MCSs revealed the typical propensity of "me", and particularly of its monoprotonated form (Hme+), to form supramolecular aggregates such as linear and crinkled tapes and molecular ribbons. The energetic landscape of those assemblies has been explored with the use of density functional theory calculations of various models of Hme+ and "me" hydrogen-bonded aggregates. The stabilization energies of Hme+-based adducts are for the first time rationalized within the context of the anti-electrostatic hydrogen bonding concept. In addition, we discussed the supramolecular arrangement of I-III in terms of synthon formation and explored structural peculiarities imparted by hydration and solvation. The salt-to-cocrystal continuum is analyzed based on structural analysis and physicochemical properties such as vibrational characteristics, thermal stability, and solubility. Finally, the analysis of dnorm-mapped Hirshfeld surfaces of melamine at different protonation states allowed us to establish strongly characteristic protonation-dependent features of those surfaces, whose peculiar features are reflected in associated fingerprint plots (FPs). By comparison with literature precedents, we have found that our findings on FP plots of "me" and Hme+ species are indeed general. © 2018 American Chemical Society. INDEX KEYWORDS: Aggregates; Density functional theory; Hydrogen; Melamine; Protonation; Supramolecular chemistry; Hirshfeld surfaces; Hydrogen-bonding patterns; Physicochemical property; Stabilization energy; Structural peculiarities; Supramolecular aggregates; Supramolecular arrangement; Supramolecular assemblies; Hydrogen bonds FUNDING DETAILS: MINECO/AEI, CTQ2014-57393-C2-1-P, CTQ2017-85821-R FUNDING DETAILS: Plan Estatal de Investigacioń Cientıfí ca y Tećnica y de Innovacioń FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: AUTO21 Network of Centres of Excellence FUNDING DETAILS: European Regional Development Fund, FEDER FUNDING TEXT 1: Financial support from the Network of Excellence “Metal Ions in Biological Systems” MetalBio CTQ15-71211-REDT (Plan Estatal de Investigacioń Cientıfí ca y Tećnica y de Innovacioń 2013-2016). A.B. and A.F. thank the MINECO/AEI of Spain (Projects CTQ2014-57393-C2-1-P and CTQ2017-85821-R, FEDER funds) for financial support. J.K.Z. acknowledges financial support from the Faculty of Chemistry, Wrocław University of Science and Technology. J.K.Z. is also supported by the Foundation for Polish Science (FNP). CORRESPONDENCE ADDRESS: A. Castineiras; Department of Inorganic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, Santiago de Compostela, 15782, Spain; email: alfonso.castineiras@usc.es PUBLISHER: American Chemical Society ISSN: 15287483 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Gupta R., Sahoo S., Deswal S., Kothavade P., Dixit P., Zaręba J.K., Shanmuganathan K., Boomishankar R. AUTHOR FULL NAMES: Gupta, Rishabh (57226504438); Sahoo, Supriya (57327837500); Deswal, Swati (57103107800); Kothavade, Premkumar (57220051689); Dixit, Prashant (57204682733); Zaręba, Jan K. (55882042000); Shanmuganathan, Kadhiravan (24073270900); Boomishankar, Ramamoorthy (6508131775) 57226504438; 57327837500; 57103107800; 57220051689; 57204682733; 55882042000; 24073270900; 6508131775 A Flexible Energy Harvester from an Organic Ferroelectric Ammonium Salt (2021) Chemistry - An Asian Journal, 16 (24), pp. 4122 - 4129, Cited 6 times. DOI: 10.1002/asia.202101128 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85118736895&doi=10.1002%2fasia.202101128&partnerID=40&md5=f6f23088a0447ea0ca4ebf3a9d24c929 AFFILIATIONS: Department of Chemistry, Indian Institute of Science Education and Research (IISER), Pune, Dr. Homi Bhabha Road, Pune, 411008, India; Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, Dr. Homi Bhabha Road, Pune, 411008, India; Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune, 411008, India; Academy of Scientific and Innovative Research, Ghaziabad, 201002, India; PZT Centre, Armament Research and Development Establishment, Dr. Homi Bhabha Road, Pune, 411021, India; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeże, Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Organic ferroelectrics due to their low cost, easy preparation, light weight, high flexibility and phase stability are gaining tremendous attention in the field of portable electronics. In this work, we report the synthesis, structure and ferroelectric behavior of a two-component ammonium salt 2, containing a bulky [Bn(4-BrBn)NMe2]+ (Bn=benzyl and 4-BrBn=4-bromobenzyl) cation and tetrahedral (BF4)− anion. The structural analysis revealed the presence of rich non-classical C−H⋅⋅⋅F and C−H⋅⋅⋅Br interactions in this molecule that were quantified by Hirshfeld surface analysis. The polarization (P) vs. electric field (E) hysteresis loop measurements on 2 gave a remnant polarization (Pr) of 14.4 μC cm−2 at room temperature. Flexible polymer composites with various (5, 10, 15 and 20) weight percentages (wt%) of 2 in thermoplastic polyurethane (TPU) were prepared and tested for mechanical energy harvesting applications. A notable peak-to-peak output voltage of 20 V, maximum current density of 1.1 μA cm−2 and power density of 21.1 μW cm−2 were recorded for the 15 wt% 2-TPU composite device. Furthermore, the voltage output generated from this device was utilized to rapidly charge a 100 μF capacitor, with stored energies and measured charges of 156 μJ and 121.6 μC, respectively. © 2021 Wiley-VCH GmbH AUTHOR KEYWORDS: dielectric; energy harvesting; ferroelectricity; organic composites; piezoelectric INDEX KEYWORDS: Electric fields; Ferroelectric materials; Ferroelectricity; Polarization; Salts; Surface analysis; Ammonium salt; Energy Harvester; High flexibility; Light weight; Low-costs; Organic composites; Organics; Piezoelectric; Portable electronics; Thermoplastic polyurethanes; Energy harvesting FUNDING DETAILS: ARDE FUNDING DETAILS: Arun Torris FUNDING DETAILS: CSIR-NCL FUNDING DETAILS: Council of Scientific and Industrial Research, India, CSIR FUNDING DETAILS: University Grants Committee, UGC FUNDING DETAILS: Science and Engineering Research Board, SERB, CRG/2019/004615 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: This work was supported by SERB, India via Grant Nos. CRG/2019/004615 (R.B.). R.G. and S.S. are thankful to the UGC, India and P. K. thanks CSIR, India for the fellowship. J.K.Z. acknowledges support from , Wroclaw University of Science and Technology. The authors would like to acknowledge Arun Torris, CSIR‐NCL, for help with X‐ray tomography experiments and Dr. B. Praveenkumar, ARDE for piezoelectric coefficient measurements. Academia Iuvenum FUNDING TEXT 2: This work was supported by SERB, India via Grant Nos. CRG/2019/004615 (R.B.). R.G. and S.S. are thankful to the UGC, India and P. K. thanks CSIR, India for the fellowship. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. The authors would like to acknowledge Arun Torris, CSIR-NCL, for help with X-ray tomography experiments and Dr. B. Praveenkumar, ARDE for piezoelectric coefficient measurements. CORRESPONDENCE ADDRESS: R. Boomishankar; Department of Chemistry, Indian Institute of Science Education and Research (IISER), Pune, Pune, Dr. Homi Bhabha Road, 411008, India; email: boomi@iiserpune.ac.in; K. Shanmuganathan; Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Pune, Dr. Homi Bhabha Road, 411008, India; email: k.shanmuganathan@ncl.res.in; J.K. Zaręba; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wrocław, Wybrzeże, Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: John Wiley and Sons Ltd ISSN: 18614728 CODEN: CAAJB PUBMED ID: 34699132 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Asian J. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Zareba J.K., Nyk M., Samoć M. AUTHOR FULL NAMES: Zareba, Jan K. (55882042000); Nyk, Marcin (8415115800); Samoć, Marek (7006335493) 55882042000; 8415115800; 7006335493 Nonlinear optical pigments. Two-photon absorption in crosslinked conjugated polymers and prospects for remote nonlinear optical thermometry (2020) Polymers, 12 (8), art. no. 1670, Cited 7 times. DOI: 10.3390/POLYM12081670 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089536416&doi=10.3390%2fPOLYM12081670&partnerID=40&md5=f34013b2283406a577050f9476d7e07a AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Nonlinear optical (NLO) pigments are compounds insoluble in solvents that exhibit phenomena related to nonlinear optical susceptibilities (χ(n) where n = 2,3,...), e.g., two-photon absorption (2PA) which is related to the imaginary part of χ(3). Determination of spectrally-resolved 2PA properties for NLO pigments of macromolecular nature, such as coordination polymers or crosslinked polymers, has long been a challenging issue due to their particulate form, precluding characterizations with standard techniques such as Z-scan. In this contribution, we investigate thus far unknown spectrally-resolved 2PA properties of a new subclass of NLO pigments-crosslinked conjugated polymers. The studied compounds are built up from electron-donating (triphenylamine) and electron-withdrawing (2,2'-bipyridine) structural fragments joined by vinylene (Pol1) or vinyl(4-ethynylphenyl) (Pol2) aromatic bridges. 2PA properties of these polymers have been characterized in broad spectral range by specially modified two-photon excited fluorescence (TPEF) techniques: solid state TPEF (SSTPEF) and internal standard TPEF (ISTPEF). The impact of self-aggregation of aromatic backbones on the 2PA properties of the polymers has been evaluated through extended comparisons of NLO parameters, i.e., 2PA cross sections (σ2) and molar-mass normalized 2PA merit factors (σ2/M) with those of small-molecular model compounds: Mod1 and Mod2. By doing this, we found that the 2PA response of Pol1 and Pol2 is improved 2-3 times versus respective model compounds in the solid state form. Further comparisons with 2PA results collected for diluted solutions of Mod1 and Mod2 supports the notion that self-aggregated structure contributes to the observed enhancement of 2PA response. On the other hand, it is clear that Pol1 and Pol2 suffer from aggregation-caused quenching phenomenon, well reflected in time-resolved fluorescence properties as well as in relatively low values of quantum yield of fluorescence. Accordingly, despite improved intrinsic 2PA response, the effective intensity of two-photon excited emission for Pol1 and Pol2 is slightly lower relative to Mod1 and Mod2. Finally, we explore temperature-resolved luminescence properties under one-(377 nm), two-(820 nm), and three-photon excitation (1020 nm) conditions of postsynthetically Eu3+-functionalized material, Pol1-Eu, and discuss its suitability for temperature sensing applications. © 2020 by the authors. AUTHOR KEYWORDS: Non-contact luminescent probes; Nonlinear optical pigments; Nonlinear optics; Temperature-responsive materials; Two-photon absorption; Two-photon excited fluorescence INDEX KEYWORDS: Aromatic polymers; Conjugated polymers; Excited states; Fluorescence; Photons; Two photon processes; Functionalized materials; Luminescence properties; Nonlinear optical susceptibilities; Three-photon excitation; Time-resolved fluorescence; Two photon absorption; Two photon absorption (2PA); Two-photon excited fluorescence; Nonlinear optics FUNDING DETAILS: Polish National Science Centre, DEC-2017/25/N/ST5/02199 FUNDING TEXT 1: Funding: We acknowledge financial support from the Polish National Science Centre under “Preludium” DEC-2017/25/N/ST5/02199 grant. CORRESPONDENCE ADDRESS: J.K. Zareba; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wrocław, Wyb. Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: MDPI AG ISSN: 20734360 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Polym. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Gold Open Access; Green Open Access SOURCE: Scopus Medishetty R., Zarȩba J.K., Mayer D., Samoć M., Fischer R.A. AUTHOR FULL NAMES: Medishetty, Raghavender (54385782000); Zarȩba, Jan K. (55882042000); Mayer, David (56688140800); Samoć, Marek (7006335493); Fischer, Roland A. (7403086742) 54385782000; 55882042000; 56688140800; 7006335493; 7403086742 Nonlinear optical properties, upconversion and lasing in metal-organic frameworks (2017) Chemical Society Reviews, 46 (16), pp. 4976 - 5004, Cited 446 times. DOI: 10.1039/c7cs00162b https://www.scopus.com/inward/record.uri?eid=2-s2.0-85027418455&doi=10.1039%2fc7cs00162b&partnerID=40&md5=53fa9342953c43760efbb729ec5f311f AFFILIATIONS: Chr. for Inorganic and Metal-Organic Chemistry, Technische Universität München, Lichtenbergstraße 4, Garching, D-85747, Germany; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: The building block modular approach that lies behind coordination polymers (CPs) and metal-organic frameworks (MOFs) results not only in a plethora of materials that can be obtained but also in a vast array of material properties that could be aimed at. Optical properties appear to be particularly predetermined by the character of individual structural units and by the intricate interplay between them. Indeed, the "design principles" shaping the optical properties of these materials seem to be well explored for luminescence and second-harmonic generation (SHG) phenomena; these have been covered in numerous previous reviews. Herein, we shine light on CPs and MOFs as optical media for state-of-the-art photonic phenomena such as multi-photon absorption, triplet-triplet annihilation (TTA) and stimulated emission. In the first part of this review we focus on the nonlinear optical (NLO) properties of CPs and MOFs, with a closer look at the two-photon absorption property. We discuss the scope of applicability of most commonly used measurement techniques (Z-scan and two-photon excited fluorescence (TPEF)) that can be applied for proper determination of the NLO properties of these materials; in particular, we suggest recommendations for their use, along with a discussion of the best reporting practices of NLO parameters. We also outline design principles, employing both intramolecular and intermolecular strategies, that are necessary for maximizing the NLO response. A review of recent literature on two-, three- and multi-photon absorption in CPs and MOFs is further supplemented with application-oriented processes such as two-photon 3D patterning and data storage. Additionally, we provide an overview of the latest achievements in the field of frequency doubling (SHG) and tripling (third-harmonic generation, THG) in these materials. Apart from nonlinear processes, in the next sections we also target the photonic properties of MOFs that benefit from their porosity, and resulting from this their ability to serve as containers for optically-active molecules. Thus, we survey dye@MOF composites as novel media in which efficient upconversion via triplet energy migration (TEM) occurs as well as materials for stimulated emission and multi-photon pumped lasing. Prospects for producing lasing as an intrinsic property of MOFs has also been discussed. Overall, further development of the optical processes highlighted herein should allow for realization of various photonic, data storage, biomedical and optoelectronic applications. © 2017 The Royal Society of Chemistry. CORRESPONDENCE ADDRESS: M. Samoć; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wrocław, Wybrzeze Wyspiańskiego 27, 50-370, Poland; email: marek.samoc@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 03060012 CODEN: CSRVB PUBMED ID: 28621347 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Soc. Rev. DOCUMENT TYPE: Review PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Garczarek P., Zarȩba J.K., Duczmal M., Janczak J., Zoń J., Samoć M., Nyk M. AUTHOR FULL NAMES: Garczarek, Piotr (55606645500); Zarȩba, Jan K. (55882042000); Duczmal, Marek (6602142717); Janczak, Jan (7005182041); Zoń, Jerzy (6701626857); Samoć, Marek (7006335493); Nyk, Marcin (8415115800) 55606645500; 55882042000; 6602142717; 7005182041; 6701626857; 7006335493; 8415115800 Combining Three Different Functional Groups in One Linker: A Variety of Features of Copper(II) Aminocarboxyphosphonate (2017) Crystal Growth and Design, 17 (3), pp. 1373 - 1383, Cited 9 times. DOI: 10.1021/acs.cgd.6b01771 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85014407503&doi=10.1021%2facs.cgd.6b01771&partnerID=40&md5=0b27a157bfc6297b65bea9bbfc1e1897 AFFILIATIONS: Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Low Temperatures and Structure Research, Polish Academy of Sciences, 2 Okólna St., P.O. Box 1410, Wrocław, 50-950, Poland; Faculty of Mechanical and Power Engineering, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: While metal-organic frameworks (MOFs) or, more generally, coordination polymers (CPs) built using linkers possessing two different functional groups are known very well in the literature, the effect of a third functional group on the physicochemical properties of those materials is weakly recognized. To study this issue we designed an aminocarboxyphosphonic ligand, 3-amino-5-(dihydroxyphosphoryl)benzoic acid (H3APB), which is an amino derivative of meta-phosphonobenzoic acid. By self-assembly with a copper(II) source, we obtained the three-dimensional CP {[Cu3(APB)2(H2O)6]·6H2O}n, 1, featuring rare binodal 4,5-connected tcs topology. By comparison with previously known representatives of that topology, we put forward a hypothesis that CPs of rare topologies, such as tcs, are obtained when polytopic, differentially substituted ligands are used. The structure of 1 is layered, but not in the manner typical for "traditional" metal phosphonates and carboxyphosphonates, and it was found to be flexible; structural flexibility has been demonstrated by dehydration-hydration experiments. The structural changes were probed with the use of PXRD and IR methods. We have also shown that the copper(II) aminocarboxyphosphonate 1 presented herein has moderate capability for degradation of methylene blue, rhodamine B, and acridine orange in oxidizing conditions; however, the rate of dye degradation is greatly enhanced under visible light irradiation. Analysis of magnetic properties revealed that 1 is a spin-frustrated system with a diamond-chain arrangement of copper(II) ions. The magnetic data were fitted using the isotropic Heisenberg as well as Ising models. Both models consistently indicate that magnetic exchange paths are both antiferromagnetic and ferromagnetic, with dominating participation of the former interaction. © 2017 American Chemical Society. INDEX KEYWORDS: Aromatic compounds; Benzoic acid; Copper; Crystalline materials; Dyes; Ising model; Ligands; Magnetism; Organic polymers; Organometallics; Self assembly; Topology; Coordination Polymers; Hydration experiments; Isotropic Heisenberg; Metalorganic frameworks (MOFs); Oxidizing conditions; Physicochemical property; Structural flexibilities; Visible-light irradiation; Photodegradation CORRESPONDENCE ADDRESS: J.K. Zarȩba; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wrocław, Wybrzeze Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: American Chemical Society ISSN: 15287483 CODEN: CGDEF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Cryst. Growth Des. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Peksa P., Nowok A., Formalik F., Zaręba J.K., Trzmiel J., Gągor A., Mączka M., Sieradzki A. AUTHOR FULL NAMES: Peksa, Paulina (57194898634); Nowok, Andrzej (57215085951); Formalik, Filip (57191831459); Zaręba, Jan K. (55882042000); Trzmiel, Justyna (13106271700); Gągor, Anna (57202635813); Mączka, Mirosław (15725818100); Sieradzki, Adam (8678738100) 57194898634; 57215085951; 57191831459; 55882042000; 13106271700; 57202635813; 15725818100; 8678738100 More complex than originally thought: revisiting the origins of the relaxation processes in dimethylammonium zinc formate (2022) Journal of Materials Chemistry C, 10 (17), pp. 6866 - 6877, Cited 5 times. DOI: 10.1039/d2tc00089j https://www.scopus.com/inward/record.uri?eid=2-s2.0-85129555255&doi=10.1039%2fd2tc00089j&partnerID=40&md5=23b7011fe6b4a948d55421e14c372533 AFFILIATIONS: Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Micro Nano and Bioprocess Engineering, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Theoretical Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Box 1410, Wrocław, 50-950, Poland ABSTRACT: Metal formates are a subclass of coordination polymers that is renowned for the rich phase transition behavior arising from the complex interplay of molecular dynamics of organic guests and the surrounding coordination net. This contribution challenges current consensus on the origins of the relaxation processes present in the low temperature phase of dimethylammonium (DMA+) zinc formate [(CH3)2NH2][Zn(HCOO)3] (DMAZn). Thus far, it was believed that below 156 K the order-disorder structural phase transition leads to the reduction of the crystal structure symmetry from hexagonal to monoclinic, as well as causes nearly complete freezing of the DMA+ cation. Herein, we assign the crystal symmetry of low-temperature phase DMAZn to triclinic (P1), based on the observed splitting of Bragg peaks into six different components originating from six ferroelastic domains. Noncentrosymmetry of the triclinic phase of DMAZn is confirmed with second harmonic generation measurements. Full reversibility of phase transition between triclinic (noncentrosymmetric) and trigonal (centrosymmetric) crystal phases allowed for the demonstration of nonlinear optical switching of the SHG-on-SHG-off type. In turn, a new set of experimental and theoretical data on cation dynamics shows that in the low temperature phase the flipping of organic cations does not completely freeze as previously thought. Dielectric measurements on the DMAZn sample synthesized in an electric field display enhanced intensity of two relaxation phenomena in dielectric spectra. The origin of these processes, previously misinterpreted as methyl group rotations, has been explored with the use of DFT calculations. It was found that the high- and low-frequency processes can be attributed to the hopping between stable and metastable positions of the DMA+ cation, respectively. © 2022 The Royal Society of Chemistry. INDEX KEYWORDS: Coordination reactions; Crystal symmetry; Electric fields; Harmonic generation; Molecular dynamics; Nonlinear optics; Temperature; Zinc compounds; 'current; Coordination Polymers; Coordination-polymers; Dimethylammonium; Low temperature phase; Metal formates; Organics; Phase transition behaviours; Rich phase; Structural phase transition; Positive ions FUNDING DETAILS: Narodowe Centrum Nauki, NCN, DEC-2017/25/B/ST3/02321 FUNDING TEXT 1: We are deeply grateful for financial support by the National Science Centre within the framework of the Opus13 project (Grant No. DEC-2017/25/B/ST3/02321). JKZ acknowledges Academia Iuvenum, Politechnika Wroclawska for support. CORRESPONDENCE ADDRESS: P. Peksa; Department of Experimental Physics, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: paulina.peksa@pwr.edu.pl; J.K. Zaręba; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl; A. Sieradzki; Department of Experimental Physics, Wrocław University of Science and Technology, Wrocław, Wybrzeże Wyspiańskiego 27, 50-370, Poland; email: adam.sieradzki@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507526 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Mączka M., Zarȩba J.K., Gągor A., Stefańska D., Ptak M., Roleder K., Kajewski D., Soszyński A., Fedoruk K., Sieradzki A. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Zarȩba, Jan K. (55882042000); Gągor, Anna (57202635813); Stefańska, Dagmara (56040819300); Ptak, Maciej (36905137400); Roleder, Krystian (6603945641); Kajewski, Dariusz (23018508200); Soszyński, Andrzej (8307799300); Fedoruk, Katarzyna (57211231514); Sieradzki, Adam (8678738100) 15725818100; 55882042000; 57202635813; 56040819300; 36905137400; 6603945641; 23018508200; 8307799300; 57211231514; 8678738100 [Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic-Inorganic Perovskite with Multiple Nonlinear Optical Outputs (2021) Chemistry of Materials, 33 (7), pp. 2331 - 2342, Cited 87 times. DOI: 10.1021/acs.chemmater.0c04440 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85105058026&doi=10.1021%2facs.chemmater.0c04440&partnerID=40&md5=8b5fe16369b982bf02dd7741a55b2906 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okólna 2, Wrocław, 50-422, Poland; Advanced Materials Engineering and Modeling Group, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Physics, University of Silesia, Ul. 75 Pułku Piechoty 1, Chorzów, 41-500, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: An expansive library of structurally complex two-dimensional (2D) and three-dimensional (3D) lead halide perovskites has emerged over the past decade, finding applications in various aspects of photon management: photovoltaics, photodetection, light emission, and nonlinear optics. Needless to say, the highest degree of structural plasticity enjoys the former group, offering a rich playground for modifications of relevant optoelectronic parameters such as exciton energy. Structural tailorability is reflected in the ease of modification of the chemistry of the organic layers residing between inorganic slabs. In this vein, we show that the introduction of methylhydrazinium cation (MHy+, CH3NH2NH2+) into 2D perovskite gives a material with a record low separation of the inorganic layers (8.91 Å at 300 K). Optical studies showed that MHy2PbBr4 features the most red-shifted excitonic absorption among all known A2PbBr4 compounds as well as a small exciton binding energy of 99.9 meV. MHy2PbBr4 crystallizes in polar Pmn21 symmetry at room emperature (phase III) and at 351 K undergoes a phase transition to modulated Pmnm phase (II) followed by another phase transition at 371 K to Pmnm phase (I). The ferroelectric property of room-temperature phase III is inferred from switching of the pyrocurrent, dielectric measurements, and optical birefringence results. MHy2PbBr4 exhibits multiple nonlinear optical phenomena such as second-harmonic generation, third-harmonic generation, two-photon excited luminescence, and multiphoton excited luminescence. Analysis of MHy2PbBr4 single-crystal luminescence spectra obtained through linear and nonlinear optical excitation pathways indicates that free exciton emission is readily probed by the ultraviolet excitation, whereas crumpled exciton emission is detected under two- and multiphoton excitation conditions. Overall, our results demonstrate that incorporation of MHy+ into the organic layer is an emergent strategy for obtaining a 2D perovskite with polar character and multifunctional properties. © 2021 American Chemical Society. INDEX KEYWORDS: Binding energy; Excitons; Ferroelectricity; Harmonic generation; Lead compounds; Light; Luminescence; Multiphoton processes; organic-inorganic materials; Perovskite; Photons; Red Shift; Semiconductor quantum wells; Single crystals; Dielectric measurements; Ferroelectric property; Free-exciton emissions; Hybrid organic-inorganic; Multifunctional properties; Threedimensional (3-d); Two-photon excited luminescences; Ultra violet excitation; Nonlinear optics FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2019/35/B/ST5/00043 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2019/35/B/ST5/00043. J.K.Z. acknowledges financial support from the Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, ul. Okólna 2, 50-422, Poland; email: m.maczka@int.pan.wroc.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus Zarȩba J.K., Janczak J., Samoć M., Nyk M. AUTHOR FULL NAMES: Zarȩba, J.K. (55882042000); Janczak, J. (7005182041); Samoć, M. (7006335493); Nyk, M. (8415115800) 55882042000; 7005182041; 7006335493; 8415115800 Spectrally-resolved third-harmonic generation and the fundamental role of O-H⋯Cl hydrogen bonding in Oh, Td-cobalt(II) tetraphenylmethane-based coordination polymers (2017) Dalton Transactions, 46 (29), pp. 9349 - 9357, Cited 11 times. DOI: 10.1039/c7dt01518f https://www.scopus.com/inward/record.uri?eid=2-s2.0-85026486136&doi=10.1039%2fc7dt01518f&partnerID=40&md5=858ade7c1b913736b007dd5d826c3d89 AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Low Temperatures and Structure Research, Polish Academy of Sciences, 2 Okólna St, Wrocław, 50-950, Poland ABSTRACT: The reaction of a phosphonate-diester tetraphenylmethane-based tecton, tetrakis[4-(diethoxyphosphoryl)phenyl]methane, (L) with cobalt(ii) chloride afforded a centrosymmetric coordination polymer (CP), [L·2Co(H2O)42+·2CoCl42-]n, 2-Cl, possessing simultaneously octahedral (Oh) and tetrahedral (Td) metal centers. This material served as a model compound for the demonstration of factors influencing the spectral dependence of one of the nonlinear optical (NLO) phenomena, the third-harmonic generation (THG). The spectrally-resolved THG (SR-THG) measurements in the range from 1125 to 1750 nm revealed that a maximum of THG response is obtained when the fundamental beam is around 1300 nm. The SR-THG study was combined with an analysis of the self-absorption effects of pumping and of third-harmonic radiation; based on these results, we put forward a hypothesis that the THG action spectrum is influenced more by the ability of the material to self-absorb the third harmonic rather than by the extent of self-absorption of the pumping radiation. Apart from investigations of NLO properties, we have explored coordination and particularly the supramolecular interactions that build up the 2-Cl CP. Despite the tetrahedral, spatial shape of the ligand L, CP 2-Cl has a two-dimensional net. The structure was found to be strongly supported by O-H⋯Cl hydrogen bonds, since each CoCl42- complex anion is an acceptor of eight of such interactions within a distorted square grid layer of cobalt(ii) ions. While coordination and hydrogen-bonded nets are both featuring the sql topology when treated separately, the consideration of both of them as topological paths yields a trinodal 4,4,6-connected net, described by the point symbol (42·84)(45·6)2(46·66·83)2. SR-THG and structural studies of 2-Cl have been also supported by far- and mid-infrared spectroscopy, UV-Vis-NIR solid state absorption analysis, thermogravimetry and preliminary magnetic characterization. © 2017 The Royal Society of Chemistry. INDEX KEYWORDS: Absorption spectroscopy; Characterization; Chlorine compounds; Cobalt; Cobalt compounds; Complexation; Coordination reactions; Harmonic analysis; Hydrogen bonds; Infrared devices; Infrared spectroscopy; Polymers; Radiation effects; Supramolecular chemistry; Thermogravimetric analysis; Topology; Coordination Polymers; Magnetic characterization; Mid-infrared spectroscopy; Self-absorption effects; Solid-state absorption; Spectral dependences; Supramolecular interactions; Tetraphenylmethanes; Harmonic generation CORRESPONDENCE ADDRESS: J.K. Zarȩba; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wrocław, Wybrzeze Wyspiańskiego 27, 50-370, Poland; email: jan.zareba@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 14779226 CODEN: DTARA PUBMED ID: 28675207 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Dalton Trans. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Prajesh N., Sharma V.B., Rajput S.S., Singh C.K., Dixit P., Praveenkumar B., Zarȩba J.K., Kabra D., Ogale S., Boomishankar R. AUTHOR FULL NAMES: Prajesh, Neetu (57218764020); Sharma, Vijay Bhan (57220762669); Rajput, Shatruhan Singh (57201886215); Singh, Chandan Kumar (57189851621); Dixit, Prashant (57204682733); Praveenkumar, Balu (8914756000); Zarȩba, Jan K. (55882042000); Kabra, Dinesh (9740734300); Ogale, Satishchandra (55157007700); Boomishankar, Ramamoorthy (6508131775) 57218764020; 57220762669; 57201886215; 57189851621; 57204682733; 8914756000; 55882042000; 9740734300; 55157007700; 6508131775 Flexible Piezoelectric Nanogenerators Based on One-Dimensional Neutral Coordination Network Composites (2022) ACS Sustainable Chemistry and Engineering, 10 (30), pp. 9911 - 9920, Cited 1 times. DOI: 10.1021/acssuschemeng.2c02296 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85136150249&doi=10.1021%2facssuschemeng.2c02296&partnerID=40&md5=a659e5fd419f5b24e54393000ea3ec1c AFFILIATIONS: Department of Chemistry, Indian Institute of Science Education and Research (IISER), Dr. Homi Bhabha Road, Pune, 411008, India; Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Dr. Homi Bhabha Road, Pune, 411008, India; Department of Physics, Indian Institute of Technology, Mumbai, 400076, India; Department of Physics, Indian Institute of Science Education and Research (IISER), Dr. Homi Bhabha Road, Pune, 411008, India; PZT Centre, Armament Research and Development Establishment, Dr. Homi Bhabha Road, Pune, 411021, India; Institute of Advanced Materials, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland; Research Institute for Sustainable Energy (RISE), TCG Centres for Research and Education in Science and Technology (TCG-CREST), Kolkata, 700091, India ABSTRACT: Metal-organic coordination polymers are modular systems whose structures can be modified in numerous ways to introduce and influence non-linear optical and electrical properties. However, their full potential as piezoelectric nanogenerators for self-powered electronics is yet to be uncovered. Here, we report a Zn(II)-based ferroelectric one-dimensional coordination network {[Zn(L1)(bpy)]·(H2O)1.5}∞(1) derived from a flexible dicarboxylate ligand [PhPO(NH-(C6H4COOH))2] (L1H2) and 2,2′-bipyridine as a co-ligand. The origin of polarization in 1, despite its neutral structure, is due to the polyhedral distortions around the Zn(II) center as revealed by ab initio calculations. The presence of polarizable domains was visualized by piezoresponse force microscopy (PFM) experiments. Also, from the PFM studies, a sizable converse piezoelectric coefficient (d33) value of 19.4 pm/V was noticed for 1, which is unprecedentedly high for the class of neutral-network coordination polymers. Furthermore, flexible composite devices comprising a thermoplastic polyurethane (TPU) polymer with different weight percentages (wt %) of 1 were prepared and examined for application as piezoelectric nanogenerators. Notably, the champion device of this series (poled 5 wt % 1-TPU composite) exhibits a highest open-circuit voltage of 5.6 V and power density output of 14.6 μW/cm2 © 2022 American Chemical Society. All rights reserved. AUTHOR KEYWORDS: coordination polymers; energy harvesting; ferroelectricity; P-N ligands; piezoelectricity INDEX KEYWORDS: Carboxylation; Crystallography; Energy harvesting; Ferroelectricity; Ligands; Open circuit voltage; Organometallics; Scanning probe microscopy; Zinc compounds; Coordination networks; Coordination Polymers; Coordination-polymers; Metal-organic coordination polymers; Modular system; One-dimensional; P-N ligands; Piezoelectric nanogenerator; Piezoresponse force microscopy; Thermoplastic polyurethanes; Piezoelectricity FUNDING DETAILS: Nanomission Project FUNDING DETAILS: SERB-STAR, STR/2021/000016 FUNDING DETAILS: UK-India FUNDING DETAILS: Department of Science and Technology, Ministry of Science and Technology, India, डीएसटी, SR/NM/TP-13/2016 FUNDING DETAILS: Council of Scientific and Industrial Research, India, CSIR FUNDING DETAILS: Science and Engineering Research Board, SERB, CRG/2019/004615 FUNDING TEXT 1: This work was funded by SERB, India, by grant no. CRG/2019/004615 (R.B.) and the Nanomission Project, DST, India, via grant no. SR/NM/TP-13/2016 (S.O. and R.B.). R.B. thanks the SERB-STAR Award via grant no. STR/2021/000016. N.P. thanks the CSIR, India, for the fellowship. S.O. and D.K. acknowledge the funding from the UK-India SUNRISE program. J.K.Z. thanks the Academia Iuvenum, Wroclaw University of Science and Technology for support. The IISER-Pune PARAM Brahma Facility under the Government of India aided National Supercomputing Mission is gratefully acknowledged. CORRESPONDENCE ADDRESS: B. Praveenkumar; PZT Centre, Armament Research and Development Establishment, Pune, Dr. Homi Bhabha Road, 411021, India; email: praveenkumar@arde.drdo.in; J.K. Zarȩba; Institute of Advanced Materials, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland; email: jan.zareba@pwr.edu.pl; D. Kabra; Department of Physics, Indian Institute of Technology, Mumbai, 400076, India; email: dkabra@phy.iitb.ac.in; S. Ogale; Centre for Energy Science, Indian Institute of Science Education and Research (IISER), Pune, Dr. Homi Bhabha Road, 411008, India; email: satishogale@iiserpune.ac.in PUBLISHER: American Chemical Society ISSN: 21680485 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: ACS Sustainable Chem. Eng. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Wawrzyńczyk D., Cichy B., Zarȩba J.K., Bazylińska U. AUTHOR FULL NAMES: Wawrzyńczyk, Dominika (36672254900); Cichy, Bartłomiej (23666732900); Zarȩba, Jan K. (55882042000); Bazylińska, Urszula (36117472100) 36672254900; 23666732900; 55882042000; 36117472100 On the interaction between up-converting NaYF4:Er3+,Yb3+ nanoparticles and Rose Bengal molecules constrained within the double core of multifunctional nanocarriers (2019) Journal of Materials Chemistry C, 7 (47), pp. 15021 - 15034, Cited 17 times. DOI: 10.1039/c9tc04163j https://www.scopus.com/inward/record.uri?eid=2-s2.0-85076440794&doi=10.1039%2fc9tc04163j&partnerID=40&md5=cdc307dd06f863310adaea944d1e1a17 AFFILIATIONS: Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspianskiego 27, Wroclaw, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, Wroclaw, 50-422, Poland; Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspianskiego 27, Wroclaw, 50-370, Poland ABSTRACT: The designed interaction between up-converting nanoparticles and photosensitizers allows for near infrared triggered photodynamic therapy. Depending on their optical properties and spatial arrangement the light energy harvested by the nanoparticles can be transferred to the neighbor photosensitizer molecules via static- or dynamic-type interactions. To study the possibility of photodynamic effect enhancement in such a hybrid system we have engineered polymeric nanocapsules with a structured double compartment core feasible for constraining hydrophobic up-converting NaYF4:Er3+,Yb3+ nanoparticles and hydrophilic Rose Bengal molecules. Due to the chosen encapsulation method there was no necessity for surface functionalization of nanoparticles nor any chemical modification of photosensitizers, thus both of the chromophores exhibited unchanged optical properties. We have obtained a series of nanocarrier samples having a constant amount of up-converting nanoparticles and an increasing amount of Rose Bengal molecules for detailed spectroscopic (up-conversion emission spectra and kinetics) and theoretical (density functional theory based calculations) studies on their mutual interaction. The obtained results show the possibility of both up-conversion emission enhancement in the presence of Rose Bengal molecules, and static-type energy transfer from nanoparticles to photosensitizers. The applicability of the obtained nanocapsules in photodynamic based cancer treatments was further evaluated based on the reactive oxygen species, including singlet oxygen, generation upon near infrared excitation. Additionally, the other surface of the nanocontainers was functionalized with PEG-ylated hyaluronic acid to assure the "stealth" effect and selective accumulation in cancer cells. © 2019 The Royal Society of Chemistry. INDEX KEYWORDS: Chemical modification; Chromophores; Density functional theory; Diseases; Emission spectroscopy; Energy transfer; Hyaluronic acid; Hybrid systems; Infrared devices; Molecules; Nanocapsules; Nanoparticles; Optical properties; Oxygen; Photodynamic therapy; Encapsulation methods; Multi-functional nanocarriers; Near-infrared excitation; Photosensitizer molecule; Polymeric nanocapsules; Reactive oxygen species; Surface Functionalization; Up-conversion emission; Photosensitizers FUNDING DETAILS: National Science Center (Poland), 2014/ 15/D/ST4/00808 FUNDING DETAILS: Polish Ministry of Science and Higher Education for the Faculty of Chemistry of Wroclaw University of Science and Technology FUNDING TEXT 1: The financial support of the National Science Center (Poland) within the framework of the SONATA 8 programme (No. 2014/ 15/D/ST4/00808) and by a statutory activity subsidy from the Polish Ministry of Science and Higher Education for the Faculty of Chemistry of Wroclaw University of Science and Technology is gratefully acknowledged. CORRESPONDENCE ADDRESS: D. Wawrzyńczyk; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, Wyb. Wyspianskiego 27, 50-370, Poland; email: dominika.wawrzynczyk@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Sieradzki A., Maczka M., Simenas M., Zarȩba J.K., Gagor A., Balciunas S., Kinka M., Ciupa A., Nyk M., Samulionis V., Banys J., Paluch M., Pawlus S. AUTHOR FULL NAMES: Sieradzki, Adam (8678738100); Maczka, Mirosław (15725818100); Simenas, Mantas (55865561500); Zarȩba, Jan K. (55882042000); Gagor, Anna (57202635813); Balciunas, Sergejus (56755340700); Kinka, Martynas (8948765300); Ciupa, Aneta (56167731300); Nyk, Marcin (8415115800); Samulionis, Vytautas (6603737276); Banys, Juras (7003687871); Paluch, Marian (56234065700); Pawlus, Sebastian (8071982500) 8678738100; 15725818100; 55865561500; 55882042000; 57202635813; 56755340700; 8948765300; 56167731300; 8415115800; 6603737276; 7003687871; 56234065700; 8071982500 On the origin of ferroelectric structural phases in perovskite-like metal-organic formate (2018) Journal of Materials Chemistry C, 6 (35), pp. 9420 - 9429, Cited 35 times. DOI: 10.1039/c8tc02421a https://www.scopus.com/inward/record.uri?eid=2-s2.0-85053520931&doi=10.1039%2fc8tc02421a&partnerID=40&md5=8ce0e0269862c463a07f368cd34fd7ae AFFILIATIONS: Departament of Experimental Physics, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Box 1410, Wrocław 2, 50-950, Poland; Faculty of Physics, Vilnius University, Sauletekio 9, Vilnius, LT-10222, Lithuania; Advanced Materials Engineering and Modeling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Physics, University of Silesia, ul. 75 Pulku Piechoty 1, Chorzow, 41-500, Poland ABSTRACT: Metal-organic frameworks (MOFs), formed of metal centers coupled by organic molecules, exhibit inherent porosity and crystallinity. Although these systems have been examined for many potential applications, their multiferroic properties remain poorly understood. One of the approaches to get an insight into the ferroic features of these materials is the study of frameworks templated by protonated organic molecules possessing rotational and conformational freedom. The embedded organic cation with an internal electric dipole moment may be ordered on cooling, leading to the appearance of ferroelectric-like properties. Herein, we report a study of two structural phase transitions in one such material, the methylhydrazinium zinc formate [CH3NH2NH2][Zn(HCOO)3] framework (MHyZn), using various experimental techniques. High-temperature (HT) improper ferroelectric phase transition and low-temperature (LT) biferroic phase transition in MHyZn single crystals have been investigated in a broad temperature range using X-ray diffraction, longitudinal ultrasonic velocity and attenuation measurements, pyrocurrent measurements, and broadband dielectric spectroscopy. In addition, noncentrosymmetric to centrosymmetric structural transformation was confirmed for the HT phase transition with the use of temperature-resolved second harmonic generation on powder samples, while polarizing microscopy observation of a large deformation of ferroelastic-like domains attested to the noncontinuous character of the crystallographic system transformation (trigonal to triclinic) in the LT biferroic phase transition. Finally, we proved that the spontaneous electric polarization occurs due to freezing of motion around the 2- and 3-axes of the methylhydrazinium cation. © 2018 The Royal Society of Chemistry. INDEX KEYWORDS: Crystalline materials; Electric dipole moments; Ferroelectricity; Molecules; Nonlinear optics; Organometallics; Perovskite; Positive ions; Single crystals; Temperature; Zinc compounds; Attenuation measurements; Broad temperature ranges; Broad-band dielectric spectroscopy; Longitudinal ultrasonic; Metalorganic frameworks (MOFs); Multiferroic properties; Structural phase transition; Structural transformation; Ferroelectric materials FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Narodowe Centrum Nauki, NCN FUNDING TEXT 1: The single crystal X-ray diffraction revealed that the intermediate phase is noncentrosymmetric. This result was supported by SHG measurements. i.e., a clear SHG signal was observed in the intermediate phase confirming the absence of the inversion center in this phase. This result corroborates with the ultrasonic measurements which showed the piezoelectric sensitivity of the MHyZn single crystal. CORRESPONDENCE ADDRESS: A. Sieradzki; Departament of Experimental Physics, Wrocław University of Science and Technology, Wrocław, Wybrzeze Wyspiańskiego 27, 50-370, Poland; email: adam.sieradzki@pwr.edu.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Rok M., Ciżman A., Zarychta B., Zarȩba J.K., Trzebiatowska M., MącZka M., Stroppa A., Yuan S., Phillips A.E., Bator G. AUTHOR FULL NAMES: Rok, Magdalena (56001747700); Ciżman, Agnieszka (8502904600); Zarychta, Bartosz (8358289000); Zarȩba, Jan K. (55882042000); Trzebiatowska, Monika (13407976900); MącZka, Mirosław (15725818100); Stroppa, Alessandro (8276793300); Yuan, Shurong (57221219562); Phillips, Anthony E. (7401658582); Bator, Grażyna (56276803900) 56001747700; 8502904600; 8358289000; 55882042000; 13407976900; 15725818100; 8276793300; 57221219562; 7401658582; 56276803900 Cyano-bridged perovskite [(CH3)3NOH]2[KM(CN)6], [M: Fe(iii), and Co(iii)] for high-temperature multi-axial ferroelectric applications with enhanced thermal and nonlinear optical performance (2020) Journal of Materials Chemistry C, 8 (48), pp. 17491 - 17501, Cited 25 times. DOI: 10.1039/d0tc04527f https://www.scopus.com/inward/record.uri?eid=2-s2.0-85098567606&doi=10.1039%2fd0tc04527f&partnerID=40&md5=18785a4ae9d8ff40b2cb231685bdab14 AFFILIATIONS: Faculty of Chemistry, University of Wroclaw Faculty of Chemistry, 14 F. Joliot-Curie, Wroclaw, 50-383, Poland; Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Faculty of Chemistry, University of Opole, Opole, PL-45052, Poland; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Box 1410, Wrocław 2, 50-950, Poland; CNR-SPIN C/o Department of Physical and Chemical Science, University of l'Aquila, Via Vetoio, Coppito, 67100, AQ, Italy; School of Physics and Astronomy, Queen Mary University of London, Mile End Road, London, E1 4NS, United Kingdom ABSTRACT: Highly stable ferroelectrics with reversible high-temperature phase transitions and switchable nonlinear optical behaviour are much coveted targets for emerging optoelectronic applications. Here, we demonstrate a cyano-bridged perovskite [(CH3)3NOH]2[KCo(CN)6] (TMAO-Co), a new analogue of the multi-axial ferroelectric [(CH3)3NOH]2[KFe(CN)6] (TMAO-Fe) with improved thermal stability and enhanced second-order nonlinear optical response. Indeed, for TMAO-Co the Curie temperature (Tc) is shifted to a higher value of ca. 416 K (improvement by ca. 10 K versusTMAO-Fe); the separation between Tc and the decomposition threshold is 46 K. TMAO-Co is a biaxial ferroelectric as revealed by P(E) hysteresis loop measurements along the a and c crystallographic directions with spontaneous polarization values of 0.9 and 0.63 μC cm-2 at 293 K, respectively. The SHG response of TMAO-Co is two times higher than that of TMAO-Fe. The improved stability of TMAO-Co to thermal and optical loads allowed for demonstration of bistable switching of nonlinear optical response between SHG-on and SHG-off states by temperature sweeping. Structurally, TMAO-Co reproduces the unusual characteristics of TMAO-Fe, i.e. the first-order phase transition between (polar) monoclinic to (nonpolar) cubic phases involving bond switching and is assisted by the pronounced increase of disorder of the TMAO cations above Tc. Combined temperature-resolved Raman and infrared spectroscopic measurements were employed to track the symmetry increase above Tc, which is primarily associated with changes in hydrogen-bonding. Consistent with the bond-switching character of the phase transitions, a pronounced shift to higher wavenumbers is observed for the O-H stretching modes. The DFT calculations demonstrate that the system's polarization along the a-axis mostly comes from the rotation of the [(CH3)3NOH]2 cluster, while the atomic displacement of the framework contributes largely to that along the c axis. © The Royal Society of Chemistry. INDEX KEYWORDS: Cobalt compounds; Ferroelectric materials; Ferroelectricity; Harmonic generation; High temperature applications; Hydrogen bonds; Iron compounds; Perovskite; Polarization; Crystallographic directions; First-order phase transitions; High temperature phase transitions; Hysteresis loop measurements; Nonlinear optical response; Optoelectronic applications; Second-order nonlinear optical; Spontaneous polarizations; Nonlinear optics FUNDING DETAILS: National Science Center FUNDING DETAILS: Royal Society, IES\R1\180034 FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2017/ 25/B/ST5/00160 FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2017/ 25/B/ST5/00160. AEP, AS and SY thank the Royal Society (UK) for support from an International Exchange (IES\R1\180034). CORRESPONDENCE ADDRESS: M. Rok; Faculty of Chemistry, University of Wroclaw Faculty of Chemistry, Wroclaw, 14 F. Joliot-Curie, 50-383, Poland; email: magdalena.rok@chem.uni.wroc.pl; M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław 2, Box 1410, 50-950, Poland; email: m.maczka@int.pan.wroc.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus Mączka M., Gągor A., Zaręba J.K., Trzebiatowska M., Stefańska D., Kucharska E., Hanuza J., Pałka N., Czerwińska E., Sieradzki A. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Gągor, Anna (57202635813); Zaręba, Jan. K. (55882042000); Trzebiatowska, Monika (13407976900); Stefańska, Dagmara (56040819300); Kucharska, Edyta (57220434484); Hanuza, Jerzy (10045148000); Pałka, Norbert (6508222453); Czerwińska, Elżbieta (7801394812); Sieradzki, Adam (8678738100) 15725818100; 57202635813; 55882042000; 13407976900; 56040819300; 57220434484; 10045148000; 6508222453; 7801394812; 8678738100 Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing (2021) Dalton Transactions, 50 (30), pp. 10580 - 10592, Cited 3 times. DOI: 10.1039/d1dt01675j https://www.scopus.com/inward/record.uri?eid=2-s2.0-85111937349&doi=10.1039%2fd1dt01675j&partnerID=40&md5=a4c61d16ef662eb10cc38839dcd0da6e AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław, Poland; Advanced Materials Engineering and Modeling Group, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Bioorganic Chemistry, Faculty of Production Engineering, University of Economics and Business, 118/120 Komandorska str., 53-345 Wrocław, Poland; Institute of Optoelectronics, Military University of Technology, S. Kaliskiego 2, 00-908 Warsaw, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: Coordination polymers with multiple non-centrosymmetric phases have sparked substantial research efforts in the materials community. We report the synthesis and properties of a hitherto unknown cadmium dicyanamide coordination polymer comprising benzyltrimethylammonium cations (BeTriMe+). The room-temperature (RT) crystal structure of [BeTriMe][Cd(N(CN)2)3] (BeTriMeCd) is composed of Cd centers linked together by tripledca-bridges to form one-dimensional chains with BeTriMe+cations located in void spaces between the chains. The structure is polar, the space group isCmc21, and the spontaneous polarization in thec-direction is induced by an arrangement of BeTriMe+dipoles. BeTriMeCd undergoes a second-order phase transition (PT) atT1= 268 K to a monoclinic polar phaseP21. Much more drastic structural changes occur at the first-order PT observed in DSC atT2= 391 K. Raman data prove that the PT atT2leads to extensive rearrangement of the Cd-dcacoordination sphere and pronounced disorder of bothdcaand BeTriMe+. On cooling, the HT polymorph transforms atT3= 266 K to another phase of unknown symmetry. Temperature-resolved second harmonic generation (TR-SHG) studies at 800 nm confirm the structural non-centrosymmetry of all the phases detected. Optical studies indicate that BeTriMeCd exhibits at low temperatures an intense emission under 266 nm excitation. Strong temperature dependence of both one-photon excited luminescence and SHG response allowed for the demonstration of two disparate modes of optical thermometry for a single material. One is the classic ratiometric luminescence thermometry employing linear excitation in the ultraviolet region while the other is single-band SHG thermometry, a thus far unprecedented subtype of nonlinear optical thermometry. Thus, BeTriMeCd is a rare example of a dicyanamide framework exhibiting polar order, SHG activity, photoluminescence properties and linear and nonlinear optical temperature sensing capability. © The Royal Society of Chemistry 2021. INDEX KEYWORDS: Cadmium compounds; Coordination reactions; Crystal structure; Luminescence; Nonlinear optics; Polymers; Positive ions; Temperature distribution; Temperature sensors; Thermometers; Benzyltrimethylammonium; Coordination Polymers; One-dimensional chains; Optical thermometry; Photoluminescence properties; Second-order phase transition; Spontaneous polarizations; Temperature dependence; Harmonic generation FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2017/ 25/B/ST5/00160 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2017/ 25/B/ST5/00160. JKZ acknowledges the financial support from Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50-422 Wrocław, Okólna 2, Poland; email: m.maczka@intibs.pl PUBLISHER: Royal Society of Chemistry ISSN: 14779226 CODEN: DTARA PUBMED ID: 34269363 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Dalton Trans. DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mączka M., Ptak M., Gągor A., Zaręba J.K., Liang X., Balčiu̅nas S., Semenikhin O.A., Kucheriv O.I., Gural’skiy I.A., Shova S., Walsh A., Banys J., Šimėnas M. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Ptak, Maciej (36905137400); Gągor, Anna (57202635813); Zaręba, Jan K. (55882042000); Liang, Xia (58205437000); Balčiu̅nas, Sergejus (56755340700); Semenikhin, Oleksandr A. (58144061400); Kucheriv, Olesia I. (56600671800); Gural’skiy, Il’ya A. (58752698900); Shova, Sergiu (6701404110); Walsh, Aron (35315151400); Banys, Ju̅ras (7003687871); Šimėnas, Mantas (55865561500) 15725818100; 36905137400; 57202635813; 55882042000; 58205437000; 56755340700; 58144061400; 56600671800; 58752698900; 6701404110; 35315151400; 7003687871; 55865561500 Phase Transitions, Dielectric Response, and Nonlinear Optical Properties of Aziridinium Lead Halide Perovskites (2023) Chemistry of Materials, 35 (22), pp. 9725 - 9738, Cited 0 times. DOI: 10.1021/acs.chemmater.3c02200 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179069561&doi=10.1021%2facs.chemmater.3c02200&partnerID=40&md5=ba6a8feaaf2f2fedc20aacdb9102cea5 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okólna 2, Wrocław, 50-422, Poland; Institute of Advanced Materials, Faculty of Chemistry, Wrocław University of Science and Technology, Wrocław, 50-370, Poland; Department of Materials, Imperial College London, South Kensington Campus, London, SW7 2AZ, United Kingdom; Faculty of Physics, Vilnius University, Vilnius, LT-10257, Lithuania; Department of Chemistry, Taras Shevchenko National University of Kyiv, 64 Volodymyrska St., Kyiv, 01601, Ukraine; Department of Inorganic Polymers, Petru Poni Institute of Macromolecular Chemistry, Aleea Grigore Ghica Voda 41-A, Iasi, 700487, Romania; Department of Physics, Ewha Womans University, Seoul, 03760, South Korea ABSTRACT: Hybrid organic-inorganic lead halide perovskites are promising candidates for next-generation solar cells, light-emitting diodes, photodetectors, and lasers. The structural, dynamic, and phase-transition properties play a key role in the performance of these materials. In this work, we use a multitechnique experimental (thermal, X-ray diffraction, Raman scattering, dielectric, nonlinear optical) and theoretical (machine-learning force field) approach to map the phase diagrams and obtain information on molecular dynamics and mechanism of the structural phase transitions in novel 3D AZRPbX3 perovskites (AZR = aziridinium; X = Cl, Br, I). Our work reveals that all perovskites undergo order-disorder phase transitions at low temperatures, which significantly affect the structural, dielectric, phonon, and nonlinear optical properties of these compounds. The desirable cubic phases of AZRPbX3 remain stable at lower temperatures (132, 145, and 162 K for I, Br, and Cl) compared to the methylammonium and formamidinium analogues. Similar to other 3D-connected hybrid perovskites, the dielectric response reveals a rather high dielectric permittivity, an important feature for defect tolerance. We further show that AZRPbBr3 and AZRPbI3 exhibit strong nonlinear optical absorption. The high two-photon brightness of AZRPbI3 emission stands out among lead perovskites emitting in the near-infrared region. © 2023 The Authors. Published by American Chemical Society INDEX KEYWORDS: Infrared devices; Lead compounds; Light absorption; Molecular dynamics; Nonlinear optics; Optical properties; organic-inorganic materials; Permittivity; Phase diagrams; Dielectric response; Halide perovskites; Hybrid organic-inorganic; Lightemitting diode; Lows-temperatures; Nonlinear optical properties; Performance; Phase transition properties; Structural phasis; Thermal; Perovskite FUNDING DETAILS: LMTLT, S-MIP-22-73 FUNDING DETAILS: Engineering and Physical Sciences Research Council, EPSRC, EP/X035859/1 FUNDING DETAILS: Lietuvos Mokslo Taryba FUNDING DETAILS: Ministry of Education and Science of Ukraine, MESU, 22BF037-09 FUNDING TEXT 1: This project was funded by the Research Council of Lithuania (LMTLT) (Agreement No. S-MIP-22-73), and the Ministry of Education and Science of Ukraine (Grant No. 22BF037-09). Via our membership of the UK’s HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/X035859/1), this work used the ARCHER2 UK National Supercomputing Service ( http://www.archer2.ac.uk ). J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, ul. Okólna 2, 50-422, Poland; email: m.maczka@intibs.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Deswal S., Panday R., Naphade D.R., Cazade P.-A., Guerin S., Zaręba J.K., Steiner A., Ogale S., Anthopoulos T.D., Boomishankar R. AUTHOR FULL NAMES: Deswal, Swati (57103107800); Panday, Rishukumar (57643471600); Naphade, Dipti R. (57212476422); Cazade, Pierre-Andre (23994768400); Guerin, Sarah (57195332532); Zaręba, Jan K. (55882042000); Steiner, Alexander (57198866606); Ogale, Satishchandra (55157007700); Anthopoulos, Thomas D. (6701337286); Boomishankar, Ramamoorthy (6508131775) 57103107800; 57643471600; 57212476422; 23994768400; 57195332532; 55882042000; 57198866606; 55157007700; 6701337286; 6508131775 Design and Piezoelectric Energy Harvesting Properties of a Ferroelectric Cyclophosphazene Salt (2023) Small, 19 (46), art. no. 2300792, Cited 0 times. DOI: 10.1002/smll.202300792 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85165499917&doi=10.1002%2fsmll.202300792&partnerID=40&md5=d16a7ab019a5390fabac5d9451d651b2 AFFILIATIONS: Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Dr. Homi Bhabha Road, Pune, 411008, India; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), Thuwal, 23955–6900, Saudi Arabia; Department of Physics, Bernal Institute, University of Limerick, Limerick, V94 T9PX, Ireland; Institute of Advanced Materials, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, 50- 370, Poland; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom; Department of Physics and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Dr. Homi Bhabha Road, Pune, 411008, India; Research Institute for Sustainable Energy (RISE), TCG Centres for Research and Education in Science and Technology (TCG-CREST), Salt Lake, Kolkata, 700091, India ABSTRACT: Cyclophosphazenes offer a robust and easily modifiable platform for a diverse range of functional systems that have found applications in a wide variety of areas. Herein, for the first time, it reports an organophosphazene-based supramolecular ferroelectric [(PhCH2NH)6P3N3Me]I, [PMe]I. The compound crystallizes in the polar space group Pc and its thin-film sample exhibits remnant polarization of 5 µC cm−2. Vector piezoresponse force microscopy (PFM) measurements indicated the presence of multiaxial polarization. Subsequently, flexible composites of [PMe]I are fabricated for piezoelectric energy harvesting applications using thermoplastic polyurethane (TPU) as the matrix. The highest open-circuit voltages of 13.7 V and the maximum power density of 34.60 µW cm−2 are recorded for the poled 20 wt.% [PMe]I/TPU device. To understand the molecular origins of the high performance of [PMe]I-based mechanical energy harvesting devices, piezoelectric charge tensor values are obtained from DFT calculations of the single crystal structure. These indicate that the mechanical stress-induced distortions in the [PMe]I crystals are facilitated by the high flexibility of the layered supramolecular assembly. © 2023 The Authors. Small published by Wiley-VCH GmbH. AUTHOR KEYWORDS: cyclophosphazene; energy harvester; ferroelectric; piezoelectric; piezoresponse force microscopy INDEX KEYWORDS: Crystal structure; Density functional theory; Design for testability; Energy harvesting; Ferroelectric materials; Ferroelectricity; Piezoelectricity; Polarization; Scanning probe microscopy; Single crystals; Supramolecular chemistry; Cyclophosphazene; Cyclophosphazenes; Diverse range; Energy Harvester; Performance; Piezoelectric; Piezoelectric energy harvesting; Piezoresponse force microscopy; Property; Thermoplastic polyurethanes; Open circuit voltage FUNDING DETAILS: SERB-STAR FUNDING DETAILS: SERB‐STAR, STR/2021/000016 FUNDING DETAILS: Korean Society of Cardiology, KSC FUNDING DETAILS: European Commission, EC, 101039636 FUNDING DETAILS: European Research Council, ERC FUNDING DETAILS: Science Foundation Ireland, SFI, 12/RC/2275_P2, 21/PATH‐S/9737 FUNDING DETAILS: Science and Engineering Research Board, SERB, CRG/2019/004615 FUNDING DETAILS: King Abdullah University of Science and Technology, KAUST FUNDING DETAILS: Irish Centre for High-End Computing, ICHEC FUNDING TEXT 1: S.D., R.P. contributed equally to this work. This work was supported by SERB, India via Grant no. CRG/2019/004615 (R.B.). R.B. thanks SERB-STAR via Grant no. STR/2021/000016. T.D.A. and D.R.N. were grateful to KAUST and KSC for the financial support. P.A.C. and S.G. acknowledge the support from the Irish Centre for High-End Computing (ICHEC) and Science Foundation Ireland (12/RC/2275_P2). S.G. acknowledges support from the Science Foundation Ireland (21/PATH-S/9737) and the European Union (101039636). The views and opinions expressed were, however, those of the author only and did not necessarily reflect those of the European Union or the European Research Council. Neither the European Union nor the granting authority can be held responsible. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. The authors thank P. Dixit and Dr. B. Praveenkumar for poling the composite devices. Open access funding provided by IReL. FUNDING TEXT 2: S.D., R.P. contributed equally to this work. This work was supported by SERB, India via Grant no. CRG/2019/004615 (R.B.). R.B. thanks SERB‐STAR via Grant no. STR/2021/000016. T.D.A. and D.R.N. were grateful to KAUST and KSC for the financial support. P.A.C. and S.G. acknowledge the support from the Irish Centre for High‐End Computing (ICHEC) and Science Foundation Ireland (12/RC/2275_P2). S.G. acknowledges support from the Science Foundation Ireland (21/PATH‐S/9737) and the European Union (101039636). The views and opinions expressed were, however, those of the author only and did not necessarily reflect those of the European Union or the European Research Council. Neither the European Union nor the granting authority can be held responsible. J.K.Z. acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology. The authors thank P. Dixit and Dr. B. Praveenkumar for poling the composite devices. CORRESPONDENCE ADDRESS: R. Boomishankar; Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Pune, Dr. Homi Bhabha Road, 411008, India; email: boomi@iiserpune.ac.in; T.D. Anthopoulos; King Abdullah University of Science and Technology (KAUST), KAUST Solar Center (KSC), Thuwal, 23955–6900, Saudi Arabia; email: thomas.anthopoulos@kaust.edu.sa; S. Guerin; Department of Physics, Bernal Institute, University of Limerick, Limerick, V94 T9PX, Ireland; email: Sarah.Guerin@ul.ie; J.K. Zaręba; Institute of Advanced Materials, Faculty of Chemistry, Wroclaw University of Science and Technology, Wroclaw, 50- 370, Poland; email: Jan.Zareba@pwr.edu.pl; A. Steiner; Department of Chemistry, University of Liverpool, Liverpool, Crown Street, L69 7ZD, United Kingdom; email: a.steiner@liverpool.ac.uk; S. Ogale; Department of Physics and Centre for Energy Science, Indian Institute of Science Education and Research, Pune, Pune, Dr. Homi Bhabha Road, 411008, India; email: satishogale@iiserpune.ac.in PUBLISHER: John Wiley and Sons Inc ISSN: 16136810 CODEN: SMALB PUBMED ID: 37485599 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Small DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Rok M., Starynowicz P., Ciżman A., Zarȩba J.K., Piecha-Bisiorek A., Bator G., Jakubas R. AUTHOR FULL NAMES: Rok, Magdalena (56001747700); Starynowicz, Przemysław (6603722164); Ciżman, Agnieszka (8502904600); Zarȩba, Jan K. (55882042000); Piecha-Bisiorek, Anna (10539543000); Bator, Grażyna (56276803900); Jakubas, Ryszard (7005059138) 56001747700; 6603722164; 8502904600; 55882042000; 10539543000; 56276803900; 7005059138 Advances and property investigations of an organic-inorganic ferroelectric: (diisopropylammonium)2[CdBr4] (2020) Inorganic Chemistry, 59 (17), pp. 11986 - 11994, Cited 21 times. DOI: 10.1021/acs.inorgchem.0c00830 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85090489627&doi=10.1021%2facs.inorgchem.0c00830&partnerID=40&md5=56dcdbd5a0444564aa4dc2ee043286d4 AFFILIATIONS: Faculty of Chemistry, University of Wrocław, 14 F. Joliot-Curie, Wrocław, 50-383, Poland; Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wrocław University of Science and Technology, Wybrżeze Wyspiaǹskiego 27, Wrocław, 50-370, Poland; Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiaǹskiego 27, Wrocław, 50-370, Poland ABSTRACT: The preparation of materials featuring more than one ferroelectric phase represents a promising strategy for controlling electrical properties arising from spontaneous polarization, since it offers an added advantage of temperature-dependent toggling between two different ferroelectric states. Here, we report on the discovery of a unique ferroelectric-ferroelectric transition in diisopropylammonium tetrabromocadmate (DPAC, (C6H16N)2[CdBr4]) with a Tc value of 244 K, which is continuous in nature. Both phases crystallize in the same polar orthorhombic space group, Iab2. The temperature-resolved second-harmonic-generation (SHG) measurements using 800 nm femtosecond laser pulses attest to the polar structure of DPAC on either side of the phase transition (PT). The dc conductivity parameters were estimated in both solid phases. The anionic substructure is in the form of [CdBr4]2- discrete complexes (0D), while in the voids of the structure, the diisopropylammonium cations are embedded. The ferroelectric properties of phases I and II have been confirmed by the reversible pyroelectric effect as well as by P-E loop investigations. On the basis of the dielectric responses, the molecular mechanism of the PT at 244 K has been postulated to be of mixed type with an indication of its displacive nature. Copyright © 2020 American Chemical Society. INDEX KEYWORDS: Ferroelectricity; Harmonic generation; Laser pulses; Nonlinear optics; Dielectric response; Ferroelectric property; Ferroelectric state; Ferroelectric-ferroelectric transition; Molecular mechanism; Orthorhombic space groups; Spontaneous polarizations; Temperature dependent; Ferroelectric materials FUNDING DETAILS: Plenipotentiary of the Government of the Republic of Poland FUNDING DETAILS: Joint Institute for Nuclear Research, JINR, 75/23/2020 FUNDING DETAILS: Politechnika Wrocławska, WUST FUNDING TEXT 1: The authors are grateful for financial support from the Plenipotentiary of the Government of the Republic of Poland at the JINR in Dubna under Project No. 75/23/2020. J.K.Z. and A.C. acknowledge financial support from the Wroclaw University of Science and Technology. CORRESPONDENCE ADDRESS: M. Rok; Faculty of Chemistry, University of Wrocław, Wrocław, 14 F. Joliot-Curie, 50-383, Poland; email: magdalena.rok@chem.uni.wroc.pl PUBLISHER: American Chemical Society ISSN: 00201669 CODEN: INOCA PUBMED ID: 32799526 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Inorg. Chem. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Adhikari S., Bhattacharjee T., Das A., Roy S., Daniliuc C.G., Zarȩba J.K., Bauzá A., Frontera A. AUTHOR FULL NAMES: Adhikari, Suman (12752772000); Bhattacharjee, Tirtha (36715864500); Das, Arijit (55340308600); Roy, Subhadip (57199785287); Daniliuc, Constantin Gabriel (14522335700); Zarȩba, Jan K. (55882042000); Bauzá, Antonio (37032758600); Frontera, Antonio (7004015277) 12752772000; 36715864500; 55340308600; 57199785287; 14522335700; 55882042000; 37032758600; 7004015277 On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate-polyamine binary ligand systems (2020) CrystEngComm, 22 (46), pp. 8023 - 8035, Cited 9 times. DOI: 10.1039/d0ce01233e https://www.scopus.com/inward/record.uri?eid=2-s2.0-85097892232&doi=10.1039%2fd0ce01233e&partnerID=40&md5=a426dad92497ac6cc732d97d7bf8e026 AFFILIATIONS: Department of Chemistry, Govt. Degree College, Dharmanagar Tripura, 799253, India; Department of Chemistry, Bineswar Brahma Engineering College, Kokrajhar, 783370, India; Department of Chemistry, Bir Bikram Memorial College, Agartala Tripura, India; Department of Chemistry, Icfai University Tripura, Agartala, 799210, India; Organisch-Chemisches Institut, Westfälische Wilhelms-Universität, Münster Corrensstraße 40, Münster, D-48149, Germany; Advanced Materials Engineering and Modelling Group, Wrocław University of Science and Technology, Wybrzeze Wyspiańskiego 27, Wrocław, 50-370, Poland; Department de Quimica, Universitat de les Illes Balears Crta. de, Valldemossa km 7.5, Palma de Mallorca Baleares, 07122, Spain ABSTRACT: Three Cd(ii) complexes [Cd(i-mnt)(DMSO)2]n (1), {[Cd(i-mnt)pn]·2H2O} (2), and [Cd(i-mnt)3][Cd(tren)2]2 (3) harvested from 1,1-dicyanoethylene-2,2-dithiolate (i-mnt2-) and polyamine ligand systems have been designed, synthesized and structurally characterized. Single-crystal X-ray diffraction analysis reveals that these complexes exhibit diverse supramolecular architectures primarily thanks to different coordination modes adopted by (i-mnt2-) and polyamine ligands, and also owing to their disparate conformational flexibility. Indeed, polyamines (pn = 1,2-diamino propane, tren = diethylenetriamine) and (i-mnt2-) ligands demonstrate the impact of the directing effect of the ligands' spatial extension, binding abilities and flexibility on the resulting structures of the complexes. Complex 1 is a 2D coordination polymer, whereas discrete complex 2 involves a cadmium center with a distorted octahedral geometry and forms a hydrogen bonding network of an unprecedented topological type ({411698}{4462} point symbol notation). Complex 3 is a cocrystalline aggregate of one anionic [Cd(i-mnt)3]4- unit flanked by two cationic [Cd(tren)2]2+ units. DFT calculations (M06-2X/def2-TZVP level of theory) were performed in order to quantify the energetic contributions of non-covalent interactions. In 2, the energetics of hydrogen bonding interactions is explored while in the case of 3 unidirectional electrostatic interactions between the counterions are studied. Analyses of Hirshfeld surfaces (HSs) and of two-dimensional fingerprint plots provided another means of quantification of intermolecular contacts experienced by the neutral, cationic, and anionic cadmium complexes. It is found that the calculated contact contributions to the HS of neutral complex 2 are similar to the HS properties of cationic complexes in 3, i.e. being dominated predominantly by H⋯H and S⋯H contacts, despite significant differences in their structures. Moreover, the steady-state luminescence properties of dimethylsulfoxide solutions of the ligand (i-mnt2-) and of complexes 1-3 are also examined. This journal is © The Royal Society of Chemistry. INDEX KEYWORDS: Amines; Complex networks; Dimethyl sulfoxide; Hydraulic structures; Hydrogen; Hydrogen bonds; Ligands; Luminescence; Single crystals; Supramolecular chemistry; Synthesis (chemical); X ray powder diffraction; Conformational flexibility; Dimethylsulfoxide solutions; Hydrogen bonding interactions; Single crystal X-ray diffraction analysis; Steady-state luminescence; Supramolecular architectures; Supramolecular properties; Two-dimensional fingerprint; Cadmium compounds FUNDING DETAILS: Wrocław University of Science and Technology FUNDING TEXT 1: JKZ acknowledges support from Wrocław University of Science and Technology. CORRESPONDENCE ADDRESS: S. Adhikari; Department of Chemistry, Govt. Degree College, Dharmanagar Tripura, 799253, India; email: sumanadhi@gmail.com PUBLISHER: Royal Society of Chemistry ISSN: 14668033 CODEN: CRECF LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Crystengcomm DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Peksa P., Zarȩba J.K., Ptak M., Mączka M., Gągor A., Pawlus S., Sieradzki A. AUTHOR FULL NAMES: Peksa, Paulina (57194898634); Zarȩba, Jan K. (55882042000); Ptak, Maciej (36905137400); Mączka, Miroslaw (15725818100); Gągor, Anna (57202635813); Pawlus, Sebastian (8071982500); Sieradzki, Adam (8678738100) 57194898634; 55882042000; 36905137400; 15725818100; 57202635813; 8071982500; 8678738100 Revisiting a Perovskite-like Copper-Formate Framework NH4[Cu(HCOO)3]: Order-Disorder Transition Influenced by Jahn-Teller Distortion and above Room-Temperature Switching of the Nonlinear Optical Response between Two SHG-Active States (2020) Journal of Physical Chemistry C, 124 (34), pp. 18714 - 18723, Cited 15 times. DOI: 10.1021/acs.jpcc.0c06141 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85093506567&doi=10.1021%2facs.jpcc.0c06141&partnerID=40&md5=228fb077e3270c0fc7378be1c62c911e AFFILIATIONS: Department of Experimental Physics, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wroclaw, 50-370, Poland; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wroclaw, 50-370, Poland; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Box 1410, Wroclaw, 50-950, Poland; Institute of Physics, University of Silesia, 75 Pulku Piechoty 1, Chorzów, 41-500, Poland ABSTRACT: Metal-formate frameworks comprising ammonium cations as guests are proven to be a fertile ground to study various phenomena associated with the temperature-induced changes in structural, dielectric, optical, and magnetic properties. In this contribution, we revisit NH4[Cu(HCOO)3], a member of metal formates that distinguishes itself in terms of its phase transition behavior and associated properties. New data on structural dynamics of all phases of NH4[Cu(HCOO)3] have been obtained with the use of variable-temperature Raman measurements. Smooth changes of band positions observed near 220 K attest to the postulated continuous nature of low-temperature phase transition, whereas apparent discontinuities at 355 K confirm the first-order type of transition between orthorhombic (II) and hexagonal (I) phases. Low-temperature Raman data were confronted with diffraction results, pointing to a significant effect of Jahn-Teller distortion on the vibrational properties the CuO6 subnetwork. In the high-temperature range, a significant broadening of bands is observed, confirming that phase I is highly disordered, with the strongest changes of full width at half maximum (FWHM) parameters being observed for bands corresponding to NH4+ cations. Dielectric investigations revealed the symmetric shape of the observed process indicating the Debye-like relaxation. Thus, the dielectric relaxation was characterized in terms of the dipolar relaxation model using the Cole-Cole relaxation function, leading to an Ea value of approximately 0.76 eV. Finally, temperature-resolved second harmonic generation (SHG) measurements unequivocally corroborate the noncentrosymmetric setting of phases II and I, as well as allowed us to realize temperature-induced switching of second-order nonlinear optical (NLO) responses. We demonstrate that NH4[Cu(HCOO)3] serves as a host to uncommon kind of quadratic NLO switching, which takes advantage of two SHG-active states: SHG-high state below Tc, and SHG-low state above Tc. The demonstrated SHG-high - SHG-low temperature-driven bistability stands out from the vast majority of molecular and coordination polymer NLO switches that employ binary SHG-on and SHG-off switching schemes. Copyright © 2020 American Chemical Society. INDEX KEYWORDS: Copper compounds; Harmonic generation; Hysteresis; Jahn-Teller effect; Nonlinear optics; Order disorder transitions; Perovskite; Structural dynamics; Switching; Temperature; Active state; Ammonium cations; Copper formate; Lows-temperatures; Metal formates; Nonlinear optical response; Order-disorder transition; Phase I; Temperature switching; Temperature-induced; Positive ions FUNDING DETAILS: Narodowe Centrum Nauki, NCN, DEC-2017/25/B/ST3/02321 FUNDING TEXT 1: The authors are deeply grateful for financial support by the National Science Centre within the framework of the Opus13 project (Grant No. DEC-2017/25/B/ST3/02321). PUBLISHER: American Chemical Society ISSN: 19327447 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Phys. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Hybrid Gold Open Access SOURCE: Scopus Mączka M., Gągor A., Stroppa A., Gonçalves J.N., Zaręba J.K., Stefańska D., Pikul A., Drozd M., Sieradzki A. AUTHOR FULL NAMES: Mączka, Mirosław (15725818100); Gągor, Anna (57202635813); Stroppa, Alessandro (8276793300); Gonçalves, João Nuno (35737184100); Zaręba, Jan K. (55882042000); Stefańska, Dagmara (56040819300); Pikul, Adam (6602200193); Drozd, Marek (55500364000); Sieradzki, Adam (8678738100) 15725818100; 57202635813; 8276793300; 35737184100; 55882042000; 56040819300; 6602200193; 55500364000; 8678738100 Two-dimensional metal dicyanamide frameworks of BeTriMe[M(dca)3(H2O)] (BeTriMe = benzyltrimethylammonium; dca = dicyanamide; M = Mn2+, Co2+, Ni2+): coexistence of polar and magnetic orders and nonlinear optical threshold temperature sensing (2020) Journal of Materials Chemistry C, 8 (34), pp. 11735 - 11747, Cited 14 times. DOI: 10.1039/d0tc02794d https://www.scopus.com/inward/record.uri?eid=2-s2.0-85090599990&doi=10.1039%2fd0tc02794d&partnerID=40&md5=648b37f5dc9eebb8e525f741fe5d06c6 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Box 1410, Wrocław 2, 50-950, Poland; CNR-SPIN, c/o Dipartimente di Scienze Fisiche e Chimiche Universita degli Studi dell’Aquila, Via Vetoio, Coppito, 67100, L’Aquila, Italy; Physics Department and CICECO, University of Aveiro, Aveiro, 3810-193, Portugal; Advanced Materials Engineering and Modeling Group, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland; Department of Experimental Physics, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland ABSTRACT: We report the synthesis, crystal structures, and thermal, optical and magnetic properties of three new metal dicyanamide frameworks comprising benzyltrimethylammonium cations (BeTriMe+) as labile guests. These compounds crystallize in two-dimensional noncentrosymmetric structures, in space groupPna21of the orthorhombic system, in which metal cations coordinate to five N atoms from dicyanamide anions and one oxygen atom from the water molecule. Magnetic studies indicate that Mn, Co and Ni compounds order at 2.5, 2.8 and 7.0 K, respectively. Second harmonic generation (SHG) and density functional theory (DFT) studies performed for BeTriMe[Mn(dca)3(H2O)] confirm a noncentrosymmetric structure. DFT computations also provide insights into the experimentally observed low-temperature magnetic order and insulating behavior. Thus, the synthesized compounds are rare examples of dicyanamide frameworks exhibiting coexistence of polar and magnetic orders, and additionally - SHG activity. Optical studies indicate that BeTriMe[Mn(dca)3(H2O)] also exhibits red emission under 450 nm excitation. Thermal studies reveal that BeTriMe[M(dca)3(H2O)] networks dehydrate near 350-380 K resulting in structural transformations. The anhydrous BeTriMeMn also exhibits SHG activity, which is about 4 times smaller compared to the hydrated analogue. On direct contact with air the anhydrous BeTriMeMn spontaneously rehydrates, restoring the SHG response to initially observed intensity. On the other hand, if the dehydrated BeTriMeMn is sealed from air, its SHG response is essentially irreversible and stable for days. Taking BeTriMeMn as an example we demonstrate that noncentrosymmetric compounds with effectively irreversible temperature-induced change of SHG response can be potentially employed as remote nonlinear optical (NLO) markers (NLO threshold temperature sensors). The usefulness of non-contact NLO markers of this kind is based on the fact that they can inform on the thermal history of a given object, specifically, by showing whether a certain threshold temperature was achieved or not. © The Royal Society of Chemistry 2020. INDEX KEYWORDS: Cobalt compounds; Crystal atomic structure; Density functional theory; Magnetism; Molecules; Nickel compounds; Nonlinear optics; Positive ions; Temperature; Temperature sensors; Benzyltrimethylammonium; Dicyanamide anion; Non-centrosymmetric; Orthorhombic systems; Structural transformation; Temperature-induced; Threshold temperatures; Two-dimensional metals; Harmonic generation FUNDING DETAILS: CINECA FUNDING DETAILS: CNR-SPIN FUNDING DETAILS: Department of Physical and Chemical Science of University of L?Aquila FUNDING DETAILS: Department of Physical and Chemical Science of University of L’Aquila FUNDING DETAILS: EC Research Innovation Action FUNDING DETAILS: National Science Center FUNDING DETAILS: Horizon 2020 Framework Programme, H2020, 730897 FUNDING DETAILS: Narodowe Centrum Nauki, NCN, 2017/ 25/B/ST5/00160, INFRAIA-2016-1-730897 FUNDING TEXT 1: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2017/ 25/B/ST5/00160. A. S. and J. N. G. acknowledge the project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H2020 programme; J. N. Gonçalves gratefully acknowledges the kind hospitality by CNR-SPIN and Department of Physical and Chemical Science of University of L’Aquila. A. S. and J. N. G. acknowledge computer resources and technical support provided by CINECA. FUNDING TEXT 2: This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2017/25/B/ST5/00160. A. S. and J. N. G. acknowledge the project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H2020 programme; J. N. Gon?alves gratefully acknowledges the kind hospitality by CNR-SPIN and Department of Physical and Chemical Science of University of L?Aquila. A. S. and J. N. G. acknowledge computer resources and technical support provided by CINECA. CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław 2, Box 1410, 3810-193, Poland; email: m.maczka@intibs.pl PUBLISHER: Royal Society of Chemistry ISSN: 20507534 CODEN: JMCCC LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Mater. Chem. C DOCUMENT TYPE: Article PUBLICATION STAGE: Final SOURCE: Scopus Mączka M., Ptak M., Gągor A., Stefańska D., Zarȩba J.K., Sieradzki A. AUTHOR FULL NAMES: Mączka, Mrosław (15725818100); Ptak, Maciej (36905137400); Gągor, Anna (57202635813); Stefańska, Dagmara (56040819300); Zarȩba, Jan K. (55882042000); Sieradzki, Adam (8678738100) 15725818100; 36905137400; 57202635813; 56040819300; 55882042000; 8678738100 Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence (2020) Chemistry of Materials, 32 (4), pp. 1667 - 1673, Cited 131 times. DOI: 10.1021/acs.chemmater.9b05273 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85081131650&doi=10.1021%2facs.chemmater.9b05273&partnerID=40&md5=54ea1e85d1f7a7180ddf185a79e3b4a5 AFFILIATIONS: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Box 1410, Wroclaw, 50-950 2, Poland; Advanced Materials Engineering and Modeling Group, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wroclaw, 50-370, Poland; Department of Experimental Physics, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wroclaw, 50-370, Poland ABSTRACT: Three-dimensional (3D) lead halide perovskites have emerged as a promising class of coordination polymers for solar cells, photodetectors, and light-emitting devices. These compounds thus far comprise methylammonium, formamidinium, or cesium as cations. In this work, we introduce a new methylhydrazinium 3D perovskite, CH3NH2NH2PbBr3, that crystallizes in the polar P21 structure at room temperature and undergoes a phase transition to the cubic Pm3¯ m phase at 418 K. This perovskite exhibits strong second-harmonic generation activity, features switchable dielectric behavior, thermochromism, and two-photon energy upconversion under 800 nm excitation. Copyright © 2020 American Chemical Society. INDEX KEYWORDS: Electric excitation; Light emission; Nonlinear optics; Perovskite; Perovskite solar cells; Polymer solar cells; Coordination Polymers; Dielectric behavior; Green photoluminescence; Halide perovskites; Light emitting devices; Non-centrosymmetric; Thermochromism; Threedimensional (3-d); Lead compounds CORRESPONDENCE ADDRESS: M. Mączka; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wroclaw, Box 1410, 50-950 2, Poland; email: m.maczka@int.pan.wroc.pl PUBLISHER: American Chemical Society ISSN: 08974756 CODEN: CMATE LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Chem. Mater. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Chański M., Białońska A., Jakubas R., Rok M., Zaręba J.K., Janicki R., Durlak P., Piecha-Bisiorek A. AUTHOR FULL NAMES: Chański, Michał (37002624500); Białońska, Agata (6507763290); Jakubas, Ryszard (7005059138); Rok, Magdalena (56001747700); Zaręba, Jan K. (55882042000); Janicki, Rafał (22979607700); Durlak, Piotr (22233518700); Piecha-Bisiorek, A. (58249471500) 37002624500; 6507763290; 7005059138; 56001747700; 55882042000; 22979607700; 22233518700; 58249471500 Progressive Structural Complexity in Ferroelectric 1,2,4-Triazolium Hexabromoantimonate(III): Interplay of “Order-Disorder” and “Displacive” Contributions to the Structural Phase Transitions (2023) Journal of Physical Chemistry Letters, pp. 4524 - 4531, Cited 0 times. DOI: 10.1021/acs.jpclett.3c00924 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159768371&doi=10.1021%2facs.jpclett.3c00924&partnerID=40&md5=1133e36ce3037db1d897bcd8c08d0cc7 AFFILIATIONS: Faculty of Chemistry, University of Wrocław, Wrocław, 50-383, Poland; Institute of Advanced Materials, Faculty of Chemistry, Wrocław University of Science and Technology, Wrocław, 50-370, Poland ABSTRACT: Halobismuthates(III) and haloantimonates(III) with the R3MX6 chemical composition create a new and broadly unexplored class of ferroelectric compounds. In this paper, we report the haloantimonate(III) ferroelectric comprising an aromatic (1,2,4-triazolium) cation, i.e., (C2N3H4)3[SbBr6] (TBA). Temperature-resolved structural and spectroscopic studies indicate that TBA undergoes two solid-solid phase transitions between tetragonal [P42/m (I)] and monoclinic [P21/n (II) and P21 (III)] phases. TBA experiences a paraelectric-ferroelectric phase transition at 271/268 K (II-III) driven by “order-disorder” and “displacive” molecular mechanisms. The ferroelectric properties of phase III have been confirmed by hysteresis loop measurement, and additionally, the acentric order has been further supported by second-harmonic generation measurements. Insight into the molecular origins of the ferroelectric polarization was provided by periodic ab initio calculations using the Berry phase approach at the density functional theory (DFT-D3) method level employed for calculations of spontaneous polarization. © 2023 The Authors. Published by American Chemical Society. INDEX KEYWORDS: Density functional theory; Ferroelectric materials; Ferroelectricity; Nonlinear optics; Polarization; Chemical compositions; Ferroelectric compounds; Halobismuthate; Monoclinics; Paraelectrics; Solid-solid phase transitions; Spectroscopic studies; Structural complexity; Structural phase transition; Structural studies; Spectroscopic analysis CORRESPONDENCE ADDRESS: A. Piecha-Bisiorek; Faculty of Chemistry, University of Wrocław, Wrocław, 50-383, Poland; email: anna.piecha-bisiorek@uwr.edu.pl PUBLISHER: American Chemical Society ISSN: 19487185 PUBMED ID: 37159252 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: J. Phys. Chem. Lett. DOCUMENT TYPE: Article PUBLICATION STAGE: Article in press OPEN ACCESS: All Open Access; Green Open Access; Hybrid Gold Open Access SOURCE: Scopus Quintana C., Morshedi M., Du J., Morrall J.P.L., Zaręba J.K., Samoc M., Cifuentes M.P., Humphrey M.G. AUTHOR FULL NAMES: Quintana, Cristóbal (57189998753); Morshedi, Mahbod (11639208800); Du, Jun (56599489200); Morrall, Joseph P. L. (7004031024); Zaręba, Jan K. (55882042000); Samoc, Marek (7006335493); Cifuentes, Marie P. (7007166015); Humphrey, Mark G. (7102783867) 57189998753; 11639208800; 56599489200; 7004031024; 55882042000; 7006335493; 7007166015; 7102783867 Hybrids of gold nanoparticles and oligo(p-phenyleneethynylene)s end-functionalized with alkynylruthenium groups: Outstanding two-photon absorption in the second biological window (2020) Nano Research, 13 (10), pp. 2755 - 2762, Cited 4 times. DOI: 10.1007/s12274-020-2924-4 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85088037330&doi=10.1007%2fs12274-020-2924-4&partnerID=40&md5=68975fff44466fd03e7f99e89375ebb2 AFFILIATIONS: Research School of Chemistry, Australian National University, Canberra, 2601, ACT, Australia; Advanced Materials Engineering and Modelling Group, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland ABSTRACT: Oligo(p-phenyleneethynylene)s (OPEs) end-capped with (alkynyl)bis(diphosphine)ruthenium and thiol/thiolate groups stabilize ca. 2 nm diameter gold nanoparticles (AuNPs). The morphology, elemental composition and stability of the resultant organometallic OPE/AuNP hybrid materials have been defined using a combination of molecular- and nano-material chacterization techniques. The hybrids display long-term stability in solution (more than a month), good solubility in organic solvents, reversible ruthenium-centered oxidation, and transparency beyond 800 nm, and possess very strong nonlinear absorption activity at the first biological window, and unprecedented two-photon absorption activity in the second biological window (σ2 up to 38,000 GM at 1,050 nm). [Figure not available: see fulltext.]. © 2020, Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature. AUTHOR KEYWORDS: gold nanoparticles; inorganic materials; metal alkynyl complexes; nonlinear optics; organometallics INDEX KEYWORDS: Aromatic compounds; Fiber optic sensors; Gold nanoparticles; Hybrid materials; Metal nanoparticles; Organometallics; Photons; Ruthenium; Chacterization; Diphosphines; Elemental compositions; Functionalized; Long term stability; Nonlinear absorptions; Phenyleneethynylene; Two photon absorption; Two photon processes FUNDING DETAILS: CSC-ANU FUNDING DETAILS: Australian Research Council, ARC, DP170100411 FUNDING DETAILS: Australian National University, ANU FUNDING DETAILS: Fundacja na rzecz Nauki Polskiej, FNP FUNDING DETAILS: Narodowe Centrum Nauki, NCN, UMO-2016/22/M/ST4/00275 FUNDING DETAILS: China Scholarship Council, CSC FUNDING DETAILS: Agencia de Innovación y Desarrollo de Andalucía, IDEA, 2015-72160061 FUNDING TEXT 1: We thank the Australian Research Council (DP170100411: M. G. H. and M. S.) and the National Science Centre (NCN) Poland (UMO-2016/22/M/ST4/00275: J. K. Z. and M. S.) for support of this work. C. Q. thanks Becas Chile (Agencia Nacional de Investigación y Desarrollo) for financial support in the form of a PhD scholarship (2015-72160061), J. P. L. M. thanks the Australian Government for an Australian Postgraduate Award, J. D. thanks the China Scholarship Council and the Australian National University for a CSC-ANU scholarship, and J. K. Z. thanks the Foundation for Polish Science (FNP) for support. The authors acknowledge the facilities, and the scientific and technical assistance, of the Australian Microscopy & Microanalysis Research Facility and the Centre of Advanced Microscopy at the Australian National University. CORRESPONDENCE ADDRESS: M.G. Humphrey; Research School of Chemistry, Australian National University, Canberra, 2601, Australia; email: mark.humphrey@anu.edu.au PUBLISHER: Tsinghua University Press ISSN: 19980124 LANGUAGE OF ORIGINAL DOCUMENT: English ABBREVIATED SOURCE TITLE: Nano. Res. DOCUMENT TYPE: Article PUBLICATION STAGE: Final OPEN ACCESS: All Open Access; Green Open Access SOURCE: Scopus