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Quantum State Preparation Representation Quantum Simulation Entanglement Theory Quantum Correlations Quantum Chemistry

Fluoridobromate(V)–hydrogen fluoride cocrystallizates

DOAJ
Authors: Martin Möbs, Antti J. Karttunen, Florian Kraus

Year

2024

Paper ID

4623

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

125

Citations

1

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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References & Citation Signals

[1] DOI https://doi.org/10.17344/acsi.2024.8759 [2] Publisher https://acsi-journal.eu/index.php/ACSi/article/view/8759

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External citation index: OpenAlex citation signal • updated 2026-10-21 12:04:54

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