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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F21%3A00543051" target="_blank" >RIV/68378271:_____/21:00543051 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11310/21:10427956

Výsledek na webu

<a href="https://doi.org/10.1016/j.molstruc.2021.129930" target="_blank" >https://doi.org/10.1016/j.molstruc.2021.129930</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2021.129930" target="_blank" >10.1016/j.molstruc.2021.129930</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/EF15_003%2F0000417" target="_blank" >EF15_003/0000417: Centrum pro cílenou syntézu a aplikace perspektivních materiálů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

1872-8014

Svazek periodika

1230

Číslo periodika v rámci svazku

Apr

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

129930

Kód UT WoS článku

000630326000089

EID výsledku v databázi Scopus

2-s2.0-85099613113