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

Luca Evangelisti; Gang Feng; Qian Gou; Gloria Guidetti; Walther Caminati

doi:10.1016/j.saa.2013.08.116

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.

Authors

Luca Evangelisti¹, Gang Feng¹, Qian Gou¹, Gloria Guidetti¹, Walther Caminati²

Affiliations

¹ Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
² Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy. Electronic address: [email protected].

PMID: 24070649
DOI: 10.1016/j.saa.2013.08.116

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