Bromo‐ and Polybromoantimonates(V): Structural and Theoretical Studies of Hybrid Halogen‐Rich Halometalate Frameworks

Cation‐dependent reactions “[SbBr6]3−+Br2+HBr+CationBrx” result in the formation of bromide/polybromide complexes with zero‐, one‐, two‐, or three‐dimensional supramolecular frameworks and different Br/Sb ratios (up to 11). Seven new compounds representing six structural types were characterized by...

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Bibliographic Details
Published in:Chemistry : a European journal 2018-07, Vol.24 (40), p.10165-10170
Main Authors: Adonin, Sergey A., Bondarenko, Mikhail A., Abramov, Pavel A., Novikov, Alexander S., Plyusnin, Pavel E., Sokolov, Maxim N., Fedin, Vladimir P.
Format: Article
Language:English
Subjects:
antimony
Cations
Chemistry
DFT calculations
halide complexes
non-covalent interactions
polyhalide
Supramolecular frameworks
Thermogravimetric analysis
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Summary:Cation‐dependent reactions “[SbBr6]3−+Br2+HBr+CationBrx” result in the formation of bromide/polybromide complexes with zero‐, one‐, two‐, or three‐dimensional supramolecular frameworks and different Br/Sb ratios (up to 11). Seven new compounds representing six structural types were characterized by XRD and thermogravimetric analysis and DFT calculations enabled estimation of the energies of the Br⋅⋅⋅Br contacts (1.1–4.6 kcal mol−1). Capturing more bromine: In the presence of different organic cations, bromoantimonate and polybromide units form hybrid halometalate–polyhalide supramolecular assemblies of different geometries and compositions, “trapping” different numbers of dibromine fragments in the solid state.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.201801338