ANALYSIS OF A C-TYPE BAND OF TRANS-1,2-DICHLOROETHYLENE-$^{35}CL_{2}$ IN NATURAL ABUNDANCE IN THE HIGH RESOLUTION INFRARED SPECTRUM

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1996

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Ohio State University

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We have found that subbands in the C-type band at $897.950 cm^{-1}$ in the high resolution infrared spectrum of trans-1,2-dichloroethylene can be analyzed separately for the $^{35}Cl_{2}$ and $^{35}Cl^{37}Cl$ isotopomers in natural abundance with the aid of the Giessen Loomis-Wood program. Consequently, it is unnecessary to synthesize isotopically pure chlorine species in order to determine the structure of this nonpolar molecule by high resolution infrared spectroscopy. For the $^{35}Cl_{2}$ isotopic species 874 ground state combination differences (GSCD) have been fitted to a Watson-type Hamiltonian. The GS rotational constants are $A=1.7472665 (55). B = 0.5157118(5)$, and $C = 0.5008142 (5)$ $cm^{-1}$ with $\kappa = -0.9982$. Based on the GS constants a preliminary comparion with the structure of the cis isomer will be made. Work on the analysis of the corresponding bands of the $^{35}Cl^{37}Cl$ species and the $^{35}Cl_{2}-d_{2}$ species is in process

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$^{a}$H. Takeo, M. Sugie and C. Matsumura, J. Mol. Struct. 190, 205 (1988).
Author Institution: Department of Chemistry, Oberlin College; Physikalisch-chemisches Institut, der Justus-Liebig-Universit\'{t}

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