Order-disorder phase transition in the peroxidovanadium complex NH4[VO(O2)(2)(NH3)]
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F18%3A10376034" target="_blank" >RIV/00216208:11310/18:10376034 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.saa.2018.04.019" target="_blank" >https://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>
Alternative languages
Result language
angličtina
Original language name
Order-disorder phase transition in the peroxidovanadium complex NH4[VO(O2)(2)(NH3)]
Original language description
Complex NH4[VO(O2)(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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
ISSN
1386-1425
e-ISSN
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Volume of the periodical
200
Issue of the periodical within the volume
July
Country of publishing house
GB - UNITED KINGDOM
Number of pages
6
Pages from-to
110-115
UT code for WoS article
000433272500015
EID of the result in the Scopus database
2-s2.0-85045420338