Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex : Anion-to-Cation Charge Transfer via Br⋅⋅⋅Br Interactions. / Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S. и др.
в: Chemistry - A European Journal, Том 23, № 62, 07.11.2017, стр. 15612-15616.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex
T2 - Anion-to-Cation Charge Transfer via Br⋅⋅⋅Br 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.
N1 - Publisher Copyright: © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2017/11/7
Y1 - 2017/11/7
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 Br⋅⋅⋅Br interactions (≈3.3 Å) 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 Br⋅⋅⋅Br interactions (≈3.3 Å) 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
KW - DRIVEN PHOTOCATALYTIC PROPERTIES
KW - RECOGNITION
KW - PHOTOCHROMISM
KW - CRYSTAL-STRUCTURES
KW - HALIDE PEROVSKITES
KW - SUPRAMOLECULAR CHEMISTRY
KW - TEMPERATURE
KW - RECEPTORS
KW - HYBRID
KW - VIOLOGEN
UR - http://www.scopus.com/inward/record.url?scp=85031320277&partnerID=8YFLogxK
U2 - 10.1002/chem.201703747
DO - 10.1002/chem.201703747
M3 - Article
C2 - 28940361
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: 8968598