Rotational Spectra of Cis and Trans Crotononitriles
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Publisher:Ohio State University
The rotational spectra of the ground vibrational state of the cis and trans isomers of crotononitrile have been measured in the frequency region of 6-420 GHz. Accurate rotational and centrifugal distorsion constants, and nuclear quadrupole coupling constants have been determined for both isomers. A barrier height of 1387.2(8) cal/mol for the internal rotation of the methyl group of cis-crotononitrile was obtained from the analysis of the splittings. An ab initio structure has been calculated for both forms (as well as for isomers) and a near-equilibrium structure has been estimated using offsets derived empirically.
Author Institution: Universitad de Valladolid, E 47005 VALLADOLID Spain; URA CNRS, 249 Bât P5 Université de Lillel, 59655 VILLENEUVE D'ASCQ France
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