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

Benjamin Scheibe, Antti J. Karttunen, Ulrich Müller, Florian Kraus*

*Corresponding author for this work

Research output: Contribution to journalArticle

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.

Original languageEnglish
Number of pages5
JournalAngewandte Chemie - International Edition
DOIs
Publication statusE-pub ahead of print - 30 Jun 2020
MoE publication typeA1 Journal article-refereed

Keywords

  • density functional theory calculations
  • fluorides
  • halogens
  • interhalogen compound
  • X-ray diffraction

Fingerprint Dive into the research topics of 'Cs[Cl<sub>3</sub>F<sub>10</sub>]A Propeller-Shaped [Cl<sub>3</sub>F<sub>10</sub>]<sup>−</sup> Anion in a Peculiar A<sup>[5]</sup>B<sup>[5]</sup> Structure Type: A Propeller-Shaped [Cl<sub>3</sub>F<sub>10</sub>]<sup>−</sup> Anion in a Peculiar A<sup>[5]</sup>B<sup>[5]</sup> Structure Type'. Together they form a unique fingerprint.

Cite this