THE SPECTROSCOPY AND STRUCTURE OF THIOPHOSGENE (Cl$_2$CS) IN ITS SINGLET A$_2$ STATE: A HIGH RESOLUTION STUDY OF THE ROTATIONAL STRUCTURE OF THE n $\rightarrow \pi^*$ TRANSITION
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Date
2005
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Publisher
Ohio State University
Abstract
BG test - The results of our recent line-by-line rotational analysis of the ring dye laser LIF jet spectrum of the $^1$A$_2 \leftarrow ^1$A$_1$ (n $\rightarrow \pi^*$) rovibronic transition of thiophosgene (Cl$_2$CS) will be presented. A total of four bands have been analyzed. An interesting feature of the spectrum is the axis-switching that occurs in the excited state of the $^{35}$Cl$_2$CS and $^{35}$Cl$^{37}$ClCS isotopomers. The excited state geometry has been determined from a fit to the least-squares determined rotational constants. The molecule is approximately $24^{irc}$ out-of-plane which is lower than that determined from earlier Franck-Condon type analyses of the vibrational structure. We attribut the discrepancy to the one-dimensional nature of the model calculations used in these previous studies.
Description
Author Institution: Department of Chemistry and Centre for Laser and Optical Spectroscopy, The University of Akron, Akron, OH 44325-3601 ; Department of Chemistry, University of Wisconsin-Parkside, Kenosha, WI 53141-2000 ; Department of Chemistry, Brock University, St. Catharines, ON L2S 3A1