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Thermal properties of the hybrid compound [Cu(en).sub.2./sub.(VO.sub.3./sub.).sub.2./sub.]·3H.sub.2./sub.O-phase analysis upon heating and cooling. Crystal structure characterization of its two polymorphic modifications
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SYSNO ASEP 0543051 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Thermal properties of the hybrid compound [Cu(en)2(VO3)2]·3H2O-phase analysis upon heating and cooling. Crystal structure characterization of its two polymorphic modifications Author(s) Stehlíková, G. (SK)
Gyepes, R. (CZ)
Bystrický, R. (SK)
Škrátek, M. (SK)
Vaněk, Přemysl (FZU-D) RID, ORCID
Tatiersky, J. (SK)Number of authors 6 Article number 129930 Source Title Journal of Molecular Structure. - : Elsevier - ISSN 0022-2860
Roč. 1230, Apr (2021)Number of pages 8 s. Language eng - English Country NL - Netherlands Keywords copper vanadate ; ethylenediamine ligand ; modulation ; phase transition ; magnetic measurement Subject RIV CA - Inorganic Chemistry OECD category Inorganic and nuclear chemistry Method of publishing Limited access Institutional support FZU-D - RVO:68378271 UT WOS 000630326000089 EID SCOPUS 85099613113 DOI 10.1016/j.molstruc.2021.129930 Annotation The inorganic-organic hybrid compound [Cu(en)2(VO3)2]•3H2O (1) was prepared by crystallization at room temperature from the CuSO4•5H2O – KVO3 – ethylenediamine – H2O system. Upon cooling 1, phase transition occurred at 176 K. Single-crystal diffraction analysis of the high- temperature and low- temperature phases has shown both phases to be polymeric, incorporating metavanadate chains (VO3)n n- –coordinated via oxygen atoms to copper(II) atoms. The four remaining positions of the copper atoms with octahedral environment are taken by nitrogen atoms of two ethylenediamine ligands. The low-temperature phase exhibits displacive modulation in its structure. The band gap of the high-temperature phase is 2.95 eV. The compound is paramagnetic (1.79 μB) and exhibits no distinct magnetic interactions. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2022 Electronic address https://doi.org/10.1016/j.molstruc.2021.129930
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