Cs[Cl3F10] : A Propeller-Shaped [Cl3F10]− Anion in a Peculiar A[5]B[5] Structure Type

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Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2020-10-05
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Mcode
Degree programme
Language
en
Pages
4
18116-18119
Series
Angewandte Chemie - International Edition, Volume 59, issue 41
Abstract
Reaction of CsF with ClF3 leads to Cs[Cl3F10]. It contains a molecular, propeller-shaped [Cl3F10]− anion with a central μ3-F atom and three T-shaped ClF3 molecules coordinated to it. This anion represents the first example of a heteropolyhalide anion of higher ClF3 content than [ClF4]− and is the first Cl-containing interhalogen species with a μ-bridging F atom. The chemical bonds to the central μ3-F atom are highly ionic and quite weak as the bond lengths within the coordinating XF3 units (X = Cl, and also calculated for Br, I) are almost unchanged in comparison to free XF3 molecules. Cs[Cl3F10] crystallizes in a very rarely observed A[5]B[5] structure type, where cations and anions are each pseudohexagonally close packed, and reside, each with coordination number five, in the trigonal bipyramidal voids of the other.
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Keywords
density functional theory calculations, fluorides, halogens, interhalogen compound, X-ray diffraction
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Citation
Scheibe , B , Karttunen , A J , Müller , U & Kraus , F 2020 , ' Cs[Cl 3 F 10 ] : A Propeller-Shaped [Cl 3 F 10 ] − Anion in a Peculiar A [5] B [5] Structure Type ' , Angewandte Chemie - International Edition , vol. 59 , no. 41 , pp. 18116-18119 . https://doi.org/10.1002/anie.202007019