Premium
Synthesis and Characterization of the Tetrafluoridochlorates(III) A [ClF 4 ] ( A = K, Rb, Cs)
Author(s) -
Scheibe Benjamin,
Ivlev Sergei I.,
Karttunen Antti J.,
Kraus Florian
Publication year - 2020
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.202000106
Subject(s) - chemistry , raman spectroscopy , alkali metal , solvolysis , crystallography , crystal structure , single crystal , density functional theory , x ray crystallography , infrared spectroscopy , trifluoride , quantum chemical , inorganic chemistry , diffraction , molecule , computational chemistry , organic chemistry , physics , hydrolysis , optics
Single‐crystalline tetrafluoridochlorates(III) A [ClF 4 ] ( 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[ClF 4 ] crystallizes in the K[BrF 4 ] structure type, whereas the Rb and Cs compounds crystallize in the Li[AuF 4 ] 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.