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Fluoridobromate(V)–hydrogen fluoride cocrystallizates
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Authors: Martin Möbs, Antti J. Karttunen, Florian Kraus
Year
2024
Paper ID
4623
Status
Peer-reviewed
Abstract Read
~2 min
Abstract Words
125
Citations
N/A
Abstract
Cocrystals of BrF5 and HF2− salts have been obtained for the first time in the form of the two compounds [NMe4][(BrF5)6(HF2)] and Cs2[(BrF5)6(HF2)(H2F3)]. These compounds are formed when hydrogen fluoride is present in reactions of BrF5 and a fluoride ion source, such as [NMe4]F or CsF. Here we present the crystal structures of the compounds, complemented by quantum chemical solid-state calculations, and our Raman spectroscopic investigations on the compound [NMe4][(BrF5)6(HF2)]. The cocrystals contain discrete [HF2]– and [H2F3]– anions, which are coordinated by BrF5 molecules via their F atoms. The propeller-like coordination of an F atom by three BrF5 molecules, as known from the [Br3F16]– anion, appears as a recurring structural motif in these compounds.
Why This Paper Matters
- This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
- It adds a 2024 reference point for readers tracking recent quantum research.
- Cocrystals of BrF5 and HF2− salts have been obtained for the first time in the form of the two compounds [NMe4][(BrF5)6(HF2)] and Cs2[(BrF5)6(HF2)(H2F3)].
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