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.
Original languageEnglish
Article number130766
Number of pages4
JournalJournal of Molecular Structure
Volume1243
DOIs
StatePublished - 5 Nov 2021

    Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Inorganic Chemistry
  • Organic Chemistry

    Research areas

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

ID: 78086195