A Symmetric F−H−F Hydrogen Bond in Strontium Bifluoride, Sr[HF2]2

Riane E. Stene, Tim Graubner, Sergei I. Ivlev, Antti J. Karttunen, Florian Kraus*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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Abstract

Single crystal X-ray diffraction shows the hydrogen bond within the [F−H−F] anion of Sr[HF2]2 to be symmetric with H−F bond lengths of 1.143(5) Å and an intramolecular F⋅⋅⋅F distance of 2.2826(18) Å. The [HF2] anion adopts crystallographic C2-symmetry, however, it is essentially linear with a F−H−F angle of 174(4)°. Solid-state quantum chemical calculations agree with the experimental findings, showing a slightly bent F−H−F angle of 177.8°. The decomposition of Sr[HF2]2 to SrF2 and HF is endothermic by +64 kJ/mol at room temperature. The bonding in the [F−H−F] anion is clearly ionic both in the solid state and gas phase.

Original languageEnglish
Article numbere202100374
Number of pages7
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Early online date7 Jan 2022
DOIs
Publication statusE-pub ahead of print - 7 Jan 2022
MoE publication typeA1 Journal article-refereed

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