29 October 1981 Conformational Barriers To Internal Rotation Of Methyl Vinyl Ketone
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Proceedings Volume 0289, 1981 Intl Conf on Fourier Transform Infrared Spectroscopy; (1981) https://doi.org/10.1117/12.932191
Event: 1981 International Conference on Fourier Transform Infrared Spectroscopy, 1981, Columbia, United States
Abstract
The far infrared (450 to 50 cm-1) spectrum has been recorded for gaseous methyl vinyl ketone. The asymmetric torsion for the s-trans conformer was observed at 116 cm-1 in the infrared spectrum of the gas with two accompanying hot bands and the corresponding torsion of the s-cis conformer was observed at 87 cm-1 with an additional hot band occurring at 84 cm-1. From these data the potential function for internal rotation of the asymmetric top has been determined and the following potential constants have been evaluated: V1 = 180±9, V2 = 827±107, V3 = 113±8, and V4 = 150±34 cm-1. From these data it has been determined that the s-trans conformer is the predominant form at ambient temperature and the enthalpy difference between the s-trans and s-cis conformers is 280 cm-1 (800 cal/mol) for the vapor. The calculated trans-cis barrier is 827 cm-1 (2.36 kcal/mol) and the cis-trans barrier is 547 cm-1 (1.56 kcal/mol). These results are compared to similar quantities in related molecules.
© (1981) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
T. S. Little, T. S. Little, J. R. Durig, J. R. Durig, } "Conformational Barriers To Internal Rotation Of Methyl Vinyl Ketone", Proc. SPIE 0289, 1981 Intl Conf on Fourier Transform Infrared Spectroscopy, (29 October 1981); doi: 10.1117/12.932191; https://doi.org/10.1117/12.932191
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