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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