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The Interhalogen Cations [Br 2 F 5 ] + and [Br 3 F 8 ] +
Author(s) -
Ivlev Sergei I.,
Karttunen Antti J.,
Buchner Magnus R.,
Conrad Matthias,
Kraus Florian
Publication year - 2018
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201803708
Subject(s) - chemistry
The synthesis and characterization of unique polyhalogen cations containing μ‐bridging fluorine atoms are reported. The [Br 2 F 5 ] + cation features a symmetric [F 2 Br–μ‐F–BrF 2 ] bridge, whereas the [Br 3 F 8 ] + contains asymmetric μ‐F bridges. These fluoronium ions, obtained as [SbF 6 ] − salts, were investigated using Raman and 19 F NMR spectroscopy, as well as single‐crystal X‐ray diffraction. Quantum chemical calculations were carried out for the gas‐phase cations as well as for the solid‐state compounds. Population analyses show the μ‐F atoms to possess the most negative partial charge within the cations.