Order-disorder phase transition in the peroxidovanadium complex NH4 [VO(O)(2)(NH3)]

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F18%3A00491036" target="_blank" >RIV/68378271:_____/18:00491036 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.saa.2018.04.019" target="_blank" >http://dx.doi.org/10.1016/j.saa.2018.04.019</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.saa.2018.04.019" target="_blank" >10.1016/j.saa.2018.04.019</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Order-disorder phase transition in the peroxidovanadium complex NH4 [VO(O)(2)(NH3)]

Popis výsledku v původním jazyce

Complex NH4WO(O-2)(2)(NH3)] (1) undergoes an order-disorder phase transition at T-c similar to 258 K. This transition is accompanied by change in the space group of the orthorhombic lattice and also by significant structural rearrangements of the constituent molecules, which are pertinent mostly to their NH4+ ions and their ammonia ligands. The low-temperature solid state IR and Raman spectra of 1 were corroborated by solid-state computations that employed Gaussian functions as the basis set. Results of these computations yielded excellent agreement with experimental data. On the curves of temperature dependence of vibrational modes, the phase transition is expressed by an abrupt change of the slope above T-c.

Název v anglickém jazyce

Order-disorder phase transition in the peroxidovanadium complex NH4 [VO(O)(2)(NH3)]

Popis výsledku anglicky

Complex NH4WO(O-2)(2)(NH3)] (1) undergoes an order-disorder phase transition at T-c similar to 258 K. This transition is accompanied by change in the space group of the orthorhombic lattice and also by significant structural rearrangements of the constituent molecules, which are pertinent mostly to their NH4+ ions and their ammonia ligands. The low-temperature solid state IR and Raman spectra of 1 were corroborated by solid-state computations that employed Gaussian functions as the basis set. Results of these computations yielded excellent agreement with experimental data. On the curves of temperature dependence of vibrational modes, the phase transition is expressed by an abrupt change of the slope above T-c.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

ISSN

1386-1425

e-ISSN

—

Svazek periodika

200

Číslo periodika v rámci svazku

Jul

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

110-115

Kód UT WoS článku

000433272500015

EID výsledku v databázi Scopus

2-s2.0-85045420338