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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 изданияхстатьяРецензирование

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@article{31360408f78644f884f5ffb850dbe6a4,
title = "Cryospectroscopic evidence of trimer formation between halothane and trimethylamine, stabilized by hydrogen and halogen bonds",
abstract = "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.",
keywords = "FTIR cryospectroscopy, Halothane, Trimethylamine, H –bond, Halogen bond, ab initio calculations, FTIR cryospectroscopy, H – bond, Halogen bond, Halothane, Trimethylamine, ab initio calculations, COMPLEX, H - bond, SPECTRA",
author = "Рутковский, {Константин Станиславович} and Меликова, {Сона Меджидовна} and Kazimierz Orzechowski and Maria Rospenk",
note = "Publisher Copyright: {\textcopyright} 2021",
year = "2021",
month = nov,
day = "5",
doi = "10.1016/j.molstruc.2021.130766",
language = "English",
volume = "1243",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

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