Bromide complexes of bismuth with 4-bromobenzyl-substituted cations of pyridinium family

Igor D. Gorokh; Sergey A. Adonin; Andrey N. Usoltsev; Alexander S. Novikov; Denis G. Samsonenko; Sergey V. Zakharov; Maxim N. Sokolov; Vladimir P. Fedin

doi:10.1016/j.molstruc.2019.126955

Bromide complexes of bismuth with 4-bromobenzyl-substituted cations of pyridinium family

Igor D. Gorokh, Sergey A. Adonin, Andrey N. Usoltsev, Alexander S. Novikov, Denis G. Samsonenko, Sergey V. Zakharov, Maxim N. Sokolov, Vladimir P. Fedin

Research output: Contribution to journal › Article › peer-review

Abstract

Two bromobismuthate (III) complexes containing 4-bromobenzyl-substituted pyridinium cations – (1-(4-BrBz)Py)₃[Bi₂Br₉] (1) and (1-(4-BrBz)-2-MePy)₃[BiBr₆] (2) – were prepared by reactions of Bi₂O₃ and corresponding pyridinium bromides in HBr. In the structure of 1 there are weak contacts between the Br atoms of 1-(4-BrBz)Py⁺ and bromide ligands of [Bi₂Br₉]^3-, while in the case of 2 such interactions are absent. The contributions of halogen and hydrogen bonding were estimated by Hirshfeld surface analysis (HSA); additionally, energies of Br⋯Br type I halogen-halogen contacts were calculated.

Original language	English
Article number	126955
Number of pages	5
Journal	Journal of Molecular Structure
Volume	1199
DOIs	https://doi.org/10.1016/j.molstruc.2019.126955
Publication status	Published - 5 Jan 2020

Keywords

Bismuth
Halide complexes
Hirshfeld surface analysis
Supramolecular contacts
HIRSHFELD SURFACE-ANALYSIS
CRYSTAL-STRUCTURES
NONCOVALENT INTERACTIONS
VIBRATIONAL-SPECTRA
BR
TRANSITION
HYBRID MATERIAL
CHLOROBISMUTHATE(III)
MAGNETIC-PROPERTIES
HALOGEN BOND

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@article{40baa8869f6944468d886ea48af80ab0,

title = "Bromide complexes of bismuth with 4-bromobenzyl-substituted cations of pyridinium family",

abstract = "Two bromobismuthate (III) complexes containing 4-bromobenzyl-substituted pyridinium cations – (1-(4-BrBz)Py)3[Bi2Br9] (1) and (1-(4-BrBz)-2-MePy)3[BiBr6] (2) – were prepared by reactions of Bi2O3 and corresponding pyridinium bromides in HBr. In the structure of 1 there are weak contacts between the Br atoms of 1-(4-BrBz)Py+ and bromide ligands of [Bi2Br9]3-, while in the case of 2 such interactions are absent. The contributions of halogen and hydrogen bonding were estimated by Hirshfeld surface analysis (HSA); additionally, energies of Br⋯Br type I halogen-halogen contacts were calculated.",

keywords = "Bismuth, Halide complexes, Hirshfeld surface analysis, Supramolecular contacts, HIRSHFELD SURFACE-ANALYSIS, CRYSTAL-STRUCTURES, NONCOVALENT INTERACTIONS, VIBRATIONAL-SPECTRA, BR, TRANSITION, HYBRID MATERIAL, CHLOROBISMUTHATE(III), MAGNETIC-PROPERTIES, HALOGEN BOND",

author = "Gorokh, {Igor D.} and Adonin, {Sergey A.} and Usoltsev, {Andrey N.} and Novikov, {Alexander S.} and Samsonenko, {Denis G.} and Zakharov, {Sergey V.} and Sokolov, {Maxim N.} and Fedin, {Vladimir P.}",

year = "2020",

month = jan,

day = "5",

doi = "10.1016/j.molstruc.2019.126955",

language = "English",

volume = "1199",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier",

}

Bromide complexes of bismuth with 4-bromobenzyl-substituted cations of pyridinium family. / Gorokh, Igor D.; Adonin, Sergey A.; Usoltsev, Andrey N.; Novikov, Alexander S.; Samsonenko, Denis G.; Zakharov, Sergey V.; Sokolov, Maxim N.; Fedin, Vladimir P.

In: Journal of Molecular Structure, Vol. 1199, 126955, 05.01.2020.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Bromide complexes of bismuth with 4-bromobenzyl-substituted cations of pyridinium family

AU - Gorokh, Igor D.

AU - Adonin, Sergey A.

AU - Usoltsev, Andrey N.

AU - Novikov, Alexander S.

AU - Samsonenko, Denis G.

AU - Zakharov, Sergey V.

AU - Sokolov, Maxim N.

AU - Fedin, Vladimir P.

PY - 2020/1/5

Y1 - 2020/1/5

N2 - Two bromobismuthate (III) complexes containing 4-bromobenzyl-substituted pyridinium cations – (1-(4-BrBz)Py)3[Bi2Br9] (1) and (1-(4-BrBz)-2-MePy)3[BiBr6] (2) – were prepared by reactions of Bi2O3 and corresponding pyridinium bromides in HBr. In the structure of 1 there are weak contacts between the Br atoms of 1-(4-BrBz)Py+ and bromide ligands of [Bi2Br9]3-, while in the case of 2 such interactions are absent. The contributions of halogen and hydrogen bonding were estimated by Hirshfeld surface analysis (HSA); additionally, energies of Br⋯Br type I halogen-halogen contacts were calculated.

AB - Two bromobismuthate (III) complexes containing 4-bromobenzyl-substituted pyridinium cations – (1-(4-BrBz)Py)3[Bi2Br9] (1) and (1-(4-BrBz)-2-MePy)3[BiBr6] (2) – were prepared by reactions of Bi2O3 and corresponding pyridinium bromides in HBr. In the structure of 1 there are weak contacts between the Br atoms of 1-(4-BrBz)Py+ and bromide ligands of [Bi2Br9]3-, while in the case of 2 such interactions are absent. The contributions of halogen and hydrogen bonding were estimated by Hirshfeld surface analysis (HSA); additionally, energies of Br⋯Br type I halogen-halogen contacts were calculated.

KW - Bismuth

KW - Halide complexes

KW - Hirshfeld surface analysis

KW - Supramolecular contacts

KW - HIRSHFELD SURFACE-ANALYSIS

KW - CRYSTAL-STRUCTURES

KW - NONCOVALENT INTERACTIONS

KW - VIBRATIONAL-SPECTRA

KW - BR

KW - TRANSITION

KW - HYBRID MATERIAL

KW - CHLOROBISMUTHATE(III)

KW - MAGNETIC-PROPERTIES

KW - HALOGEN BOND

UR - http://www.scopus.com/inward/record.url?scp=85071005408&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2019.126955

DO - 10.1016/j.molstruc.2019.126955

M3 - Article

AN - SCOPUS:85071005408

VL - 1199

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

M1 - 126955

ER -