Journal
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Volume 2020, Issue 14, Pages 1319-1324Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.202000106
Keywords
Density Functional Theory Calculations; Chlorine; Fluorine; Interhalogen Compounds
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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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