Assignment and Analysis of the mm-Wave Rotational Spectrum of Trichloroethylene: Observation of a New, Extended b R -Band and an Overview of High- J , R -Type Bands

Author: Kisiel Z.   Pszczolkowski L.  

Publisher: Academic Press

ISSN: 0022-2852

Source: Journal of Molecular Spectroscopy, Vol.178, Iss.1, 1996-07, pp. : 125-137

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Abstract

The rotational spectrum of trichloroethylene was assigned through the analysis of bands formed in the mm-wave region from high- J b R transitions. Accurate sextic level spectroscopic constants are reported for the common isotopic species, the three singly 37 Cl substituted species, the three doubly 37 Cl substituted species, and the four lowest lying vibrational states of the common species. The molecular structure for trichloroethylene is reported and compared with ab initio calculations. A new kind of extended R -type band, which arises from rotor properties at the prolate symmetric-top limit, was observed; its general properties are determined and compared with those of other known pure-rotational R -type bands.

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