The microwave spectra and molecular structures of 2-chloro-1,1-difluoroethylene and its complex with the argon atom
Abstract
The microwave spectra of six isotopologues each of 2-chloro-1,1-difluoroethylene and its argon complex are obtained in the 5.6-20.5 GHz region using a combination of broadband chirped pulse and Balle-Flygare cavity Fourier transform microwave techniques. The structure of the halogen substituted ethylene has been determined using a combination of theory and experiment. Argon is found to form a nonplanar complex with this haloethylene, locating in the ClCCF cavity, which maximizes its interactions with the heavy atoms in the ethylene subunit. A combined analysis of the chlorine quadrupole coupling constants of the monomer and of the complex allows the sign of the only nonzero off-diagonal component of the quadrupole coupling tensor for the monomer to be determined; thus, the complete tensor for the monomer has been derived.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- November 2014
- DOI:
- 10.1016/j.jms.2014.09.011
- Bibcode:
- 2014JMoSp.305...25L
- Keywords:
-
- Microwave spectroscopy;
- Molecular structure;
- Nuclear quadrupole coupling;
- 2-Chloro-1;
- 1-difluoroethylene;
- Argon complex;
- Chirped pulse;
- Balle-Flygare Fourier transform microwave spectrometer