Average orientation of water in CH2F2⋯H2O from the (17)O quadrupole effects in the rotational spectrum of CH2F2⋯H2(17)O

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5:136 Pt A:64-7. doi: 10.1016/j.saa.2013.08.116. Epub 2013 Sep 6.

Abstract

The rotational spectrum of the CH2F2⋯H2(17)O adduct has been measured in the 6.5-18.5 GHz range using a pulsed jet Fourier-transform microwave spectrometer. The experimental values of the (17)O quadrupole coupling constants have been determined to be χaa=-3.853(6), χbb=-3.259(1) and χcc=7.112(9) MHz, respectively. These data correspond to an average value of the angle between the water plane and the FCF plane of about 23°.

Keywords: Enriched H(2)(17)O; Quadrupole coupling constants; Rotational spectra; Tunneling motions; Water orientation.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Fourier Analysis
  • Hydrocarbons, Fluorinated / chemistry*
  • Microwaves
  • Models, Chemical*
  • Models, Molecular
  • Oxygen Isotopes / chemistry
  • Spectrum Analysis / methods*
  • Water / chemistry

Substances

  • Hydrocarbons, Fluorinated
  • Oxygen Isotopes
  • Water
  • difluoromethane