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Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via BrBr Interactions. / Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.

в: Chemistry - A European Journal, Том 23, № 62, 2017, стр. 15612-15616.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Adonin, SA, Gorokh, ID, Novikov, AS, Abramov, PA, Sokolov, MN & Fedin, VP 2017, 'Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via BrBr Interactions', Chemistry - A European Journal, Том. 23, № 62, стр. 15612-15616. https://doi.org/10.1002/chem.201703747

APA

Adonin, S. A., Gorokh, I. D., Novikov, A. S., Abramov, P. A., Sokolov, M. N., & Fedin, V. P. (2017). Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via BrBr Interactions. Chemistry - A European Journal, 23(62), 15612-15616. https://doi.org/10.1002/chem.201703747

Vancouver

Adonin SA, Gorokh ID, Novikov AS, Abramov PA, Sokolov MN, Fedin VP. Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via BrBr Interactions. Chemistry - A European Journal. 2017;23(62):15612-15616. https://doi.org/10.1002/chem.201703747

Author

Adonin, Sergey A. ; Gorokh, Igor D. ; Novikov, Alexander S. ; Abramov, Pavel A. ; Sokolov, Maxim N. ; Fedin, Vladimir P. / Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via BrBr Interactions. в: Chemistry - A European Journal. 2017 ; Том 23, № 62. стр. 15612-15616.

BibTeX

@article{88a2a7b6654d4286a5af5fbd18559d2f,
title = "Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via BrBr Interactions",
abstract = "A yellow bromobismuthate ((2-BrPy)2H)[BiBr4] (1, 2-BrPy=2-bromopyridinium) transforms into the unusually deeply colored cherry-red (2-BrPyH)2[BiBr5] (2). A combination of structural studies and theoretical calculations confirms that the appearance of short non-covalent BrBr interactions (≈3.3{\AA}) in 2 is responsible for the anion-to-cation charge transfer (LP(Brligand)→σ*(Br-C)), yielding dramatic changes in optical behavior. This effect opens the way towards novel halogen bonding-templated halometalate-based hybrid materials with enhanced optical properties.",
keywords = "Charge transfer, DFT calculations, Halogen bonding, Halometalates, QTAIM",
author = "Adonin, {Sergey A.} and Gorokh, {Igor D.} and Novikov, {Alexander S.} and Abramov, {Pavel A.} and Sokolov, {Maxim N.} and Fedin, {Vladimir P.}",
year = "2017",
doi = "10.1002/chem.201703747",
language = "English",
volume = "23",
pages = "15612--15616",
journal = "Chemistry - A European Journal",
issn = "0947-6539",
publisher = "Wiley-Blackwell",
number = "62",

}

RIS

TY - JOUR

T1 - Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via BrBr Interactions

AU - Adonin, Sergey A.

AU - Gorokh, Igor D.

AU - Novikov, Alexander S.

AU - Abramov, Pavel A.

AU - Sokolov, Maxim N.

AU - Fedin, Vladimir P.

PY - 2017

Y1 - 2017

N2 - A yellow bromobismuthate ((2-BrPy)2H)[BiBr4] (1, 2-BrPy=2-bromopyridinium) transforms into the unusually deeply colored cherry-red (2-BrPyH)2[BiBr5] (2). A combination of structural studies and theoretical calculations confirms that the appearance of short non-covalent BrBr interactions (≈3.3Å) in 2 is responsible for the anion-to-cation charge transfer (LP(Brligand)→σ*(Br-C)), yielding dramatic changes in optical behavior. This effect opens the way towards novel halogen bonding-templated halometalate-based hybrid materials with enhanced optical properties.

AB - A yellow bromobismuthate ((2-BrPy)2H)[BiBr4] (1, 2-BrPy=2-bromopyridinium) transforms into the unusually deeply colored cherry-red (2-BrPyH)2[BiBr5] (2). A combination of structural studies and theoretical calculations confirms that the appearance of short non-covalent BrBr interactions (≈3.3Å) in 2 is responsible for the anion-to-cation charge transfer (LP(Brligand)→σ*(Br-C)), yielding dramatic changes in optical behavior. This effect opens the way towards novel halogen bonding-templated halometalate-based hybrid materials with enhanced optical properties.

KW - Charge transfer

KW - DFT calculations

KW - Halogen bonding

KW - Halometalates

KW - QTAIM

UR - http://www.scopus.com/inward/record.url?scp=85031320277&partnerID=8YFLogxK

U2 - 10.1002/chem.201703747

DO - 10.1002/chem.201703747

M3 - Article

AN - SCOPUS:85031320277

VL - 23

SP - 15612

EP - 15616

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

SN - 0947-6539

IS - 62

ER -

ID: 9271744