Synthesis and Characterization of the Tetrafluoridochlorates(III) A[ClF4] (A = K, Rb, Cs)

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Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2020-04-16
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Mcode
Degree programme
Language
en
Pages
6
1319-1324
Series
European Journal of Inorganic Chemistry, Volume 2020, issue 14
Abstract
Single-crystalline tetrafluoridochlorates(III) A[ClF4] (A = K, Rb, Cs) were synthesized from solvolysis reactions of alkali metal fluorides in liquid chlorine trifluoride. The structures were examined by means of single-crystal X-ray diffraction. K[ClF4] crystallizes in the K[BrF4] structure type, whereas the Rb and Cs compounds crystallize in the Li[AuF4] structure type. The compounds were further characterized by Raman and IR spectroscopy. Solid-state quantum-chemical calculations with hybrid density functional methods reproduced the experimental structures and enabled the interpretation of the experimental Raman and IR spectra.
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Keywords
Chlorine, Density Functional Theory Calculations, Fluorine, Interhalogen Compounds
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Citation
Scheibe, B, Ivlev, S I, Karttunen, A J & Kraus, F 2020, ' Synthesis and Characterization of the Tetrafluoridochlorates(III) A[ClF 4 ] (A = K, Rb, Cs) ', European Journal of Inorganic Chemistry, vol. 2020, no. 14, pp. 1319-1324 . https://doi.org/10.1002/ejic.202000106