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.
|Number of pages||7|
|Journal||Zeitschrift fur Anorganische und Allgemeine Chemie|
|Early online date||7 Jan 2022|
|Publication status||E-pub ahead of print - 7 Jan 2022|
|MoE publication type||A1 Journal article-refereed|
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Stene, R. E. (Creator), Graubner, T. (Creator), Ivlev, S. I. (Creator), Karttunen, A. (Creator) & Kraus, F. (Creator), Cambridge Crystallographic Data Centre , 2022