DOI

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.
Язык оригиналаанглийский
Номер статьи130766
Число страниц4
ЖурналJournal of Molecular Structure
Том1243
DOI
СостояниеОпубликовано - 5 ноя 2021

    Предметные области Scopus

  • Аналитическая химия
  • Спектроскопия
  • Неорганическая химия
  • Органическая химия

    Области исследований

  • FTIR cryospectroscopy, Halothane, Trimethylamine, H –bond, Halogen bond, ab initio calculations

ID: 78086195