Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases

Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases

Reactions of chlorotellurates(iv) and Br2 afford formation of one-dimensional supramolecular complexes of general formula Cat2{[TeCl6](Br2)} (Cat = Me3N+ (1), PyH+ (2), 4-MePyH+ (3) and 1-MePy+ (4)) where dibromine fragments are “trapped” by [TeCl6]3−via specific Br⋯Cl interactions (halogen bonding)...

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Veröffentlicht in:CrystEngComm 2020-01, Vol.22 (11), p.1985-1990
Hauptverfasser: Usoltsev, Andrey N, Adonin, Sergey A, Novikov, Alexander S, Abramov, Pavel A, Sokolov, Maxim N, Fedin, Vladimir P
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container_end_page 1990
container_issue 11
container_start_page 1985
container_title CrystEngComm
container_volume 22
creator Usoltsev, Andrey N
Adonin, Sergey A
Novikov, Alexander S
Abramov, Pavel A
Sokolov, Maxim N
Fedin, Vladimir P
description Reactions of chlorotellurates(iv) and Br2 afford formation of one-dimensional supramolecular complexes of general formula Cat2{[TeCl6](Br2)} (Cat = Me3N+ (1), PyH+ (2), 4-MePyH+ (3) and 1-MePy+ (4)) where dibromine fragments are “trapped” by [TeCl6]3−via specific Br⋯Cl interactions (halogen bonding). The energies of the latter were estimated by DFT calculations (up to 5.7 kcal mol−1).
doi_str_mv 10.1039/c9ce01820d
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subjects Crystallography
Mathematical analysis
title Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases
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