How water interacts with halogenated anesthetics: the rotational spectrum of isoflurane-water

Chemistry. 2014 Feb 10;20(7):1980-4. doi: 10.1002/chem.201303724. Epub 2014 Jan 8.

Abstract

The rotational spectra of several isotopologues of the 1:1 complex between the inhaled anesthetic isoflurane and water have been recorded and analyzed by using Fourier transform microwave spectroscopy. The rotational spectrum showed a single rotamer, corresponding to the configuration in which the most stable conformer of isolated isoflurane is linked to the water molecule through an almost linear C-H⋅⋅⋅O weak hydrogen bond. All transitions display a hyperfine structure due to the (35)Cl (or (37)Cl) nuclear quadrupole effects.

Keywords: conformation analysis; hydrogen bonds; rotamers; rotational spectroscopy; water.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anesthetics, Inhalation / chemistry
  • Anesthetics, Inhalation / metabolism*
  • Fourier Analysis
  • Halogenation
  • Hydrogen Bonding
  • Isoflurane / chemistry
  • Isoflurane / metabolism*
  • Microwaves
  • Models, Molecular
  • Molecular Conformation
  • Spectrum Analysis
  • Water / chemistry
  • Water / metabolism*

Substances

  • Anesthetics, Inhalation
  • Water
  • Isoflurane