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Cryospectroscopic evidence of trimer formation between halothane and trimethylamine, stabilized by hydrogen and halogen bonds. / Рутковский, Константин Станиславович; Меликова, Сона Меджидовна; Orzechowski, Kazimierz; Rospenk, Maria.
в: Journal of Molecular Structure, Том 1243, 130766, 05.11.2021.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Cryospectroscopic evidence of trimer formation between halothane and trimethylamine, stabilized by hydrogen and halogen bonds
AU - Рутковский, Константин Станиславович
AU - Меликова, Сона Меджидовна
AU - Orzechowski, Kazimierz
AU - Rospenk, Maria
N1 - Publisher Copyright: © 2021
PY - 2021/11/5
Y1 - 2021/11/5
N2 - The reversible interaction of halothane (C2HBrClF3) with negatively charged local areas of molecular targets is defined in a large extent by the proton donor ability of C-H group. This interaction leads to the formation of a hydrogen bond of the CH ... B type. In the presence of heavy halogen atoms in the CHClBr group, the CHal ... B halogen bond can act as an alternative or additional target grip option. The results obtained by the cryospectroscopy method for solutions of halothane with large excess of trimethylamine in liquefied krypton suggest the trimer formation, stabilized by hydrogen and halogen bonds between CH and CHal groups of this volatile anesthetic and the two electron donor targets.
AB - The reversible interaction of halothane (C2HBrClF3) with negatively charged local areas of molecular targets is defined in a large extent by the proton donor ability of C-H group. This interaction leads to the formation of a hydrogen bond of the CH ... B type. In the presence of heavy halogen atoms in the CHClBr group, the CHal ... B halogen bond can act as an alternative or additional target grip option. The results obtained by the cryospectroscopy method for solutions of halothane with large excess of trimethylamine in liquefied krypton suggest the trimer formation, stabilized by hydrogen and halogen bonds between CH and CHal groups of this volatile anesthetic and the two electron donor targets.
KW - FTIR cryospectroscopy, Halothane, Trimethylamine, H –bond, Halogen bond, ab initio calculations
KW - FTIR cryospectroscopy
KW - H – bond
KW - Halogen bond
KW - Halothane
KW - Trimethylamine
KW - ab initio calculations
KW - COMPLEX
KW - H - bond
KW - SPECTRA
UR - http://www.scopus.com/inward/record.url?scp=85108155716&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/961e432b-3f5f-353f-bd2f-73afe1cc9f74/
U2 - 10.1016/j.molstruc.2021.130766
DO - 10.1016/j.molstruc.2021.130766
M3 - Article
VL - 1243
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
M1 - 130766
ER -
ID: 78086195