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

Benjamin Scheibe; Sergei I. Ivlev; Antti J. Karttunen; Florian Kraus

doi:10.1002/ejic.202000106

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

Benjamin Scheibe, Sergei I. Ivlev, Antti J. Karttunen, Florian Kraus^*

^*Corresponding author for this work

University of Marburg

Research output: Contribution to journal › Article › Scientific › peer-review

12 Citations (Scopus)

123 Downloads (Pure)

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.

Original language	English
Pages (from-to)	1319-1324
Number of pages	6
Journal	European Journal of Inorganic Chemistry
Volume	2020
Issue number	14
DOIs	https://doi.org/10.1002/ejic.202000106
Publication status	Published - 16 Apr 2020
MoE publication type	A1 Journal article-refereed

Funding

We thank the Deutsche Forschungsgemeinschaft (DFG) for generous funding.

Keywords

Chlorine
Density Functional Theory Calculations
Fluorine
Interhalogen Compounds

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Cite this

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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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T1 - Synthesis and Characterization of the Tetrafluoridochlorates(III) A[ClF4] (A = K, Rb, Cs)

AU - Scheibe, Benjamin

AU - Ivlev, Sergei I.

AU - Karttunen, Antti J.

AU - Kraus, Florian

PY - 2020/4/16

Y1 - 2020/4/16

N2 - 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.

AB - 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.

KW - Chlorine

KW - Density Functional Theory Calculations

KW - Fluorine

KW - Interhalogen Compounds

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DO - 10.1002/ejic.202000106

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