FOURIER TRANSFORM MICROWAVE SPECTROSCOPY AND MOLECULAR STRUCTURE OF THE 1,1-DIFLUOROETHYLENE--HF COMPLEX
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Date
2009
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Publisher
Ohio State University
Abstract
The rotational spectra of six isotopomers of 1,1-difluoroethylene--HF have been collected in the 7 - 22 GHz region with a Fourier transform microwave spectrometer. These include the most abundant isotopomer, its DF counterpart, and four singly substituted $^{13}$C species in natural abundance. Both $a$- and $b$-type transitions have been observed for all species. In addition, the hydrogen-fluorine spin-spin coupling interaction in the HF subunit for CH$_2$CF$_2$--HF and the deuterium nuclear quadrupole coupling interaction in CH$_2$CF$_2$--DF have been observed and analyzed. The rotational constants are consistent with a planar complex, with the two subunits interacting through a hydrogen bond formed between the H atom of HF and an F atom in 1,1-difluoroethylene and via a secondary interaction between the F atom in HF and the H atom located \textit{cis} to the hydrogen-bonded F atom in 1,1-difluoroethylene. The rotational constants, hyperfine coupling constants, and results from the analogous complex, CH$_2$CF$_2$--HCCH, are combined to determine the structural parameters of 1,1-difluoroethylene--HF and 1,1-difluoroethylene--DF, which are found to be slightly different.
Description
H.~O.~Leung and M.~D.~Marshall, J.~Chem.~Phys. 125, 154301 (2006).
Author Institution: Department of Chemistry, Amherst College, P.O. Box 5000, Amherst, MA 01002-5000
Author Institution: Department of Chemistry, Amherst College, P.O. Box 5000, Amherst, MA 01002-5000