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Proceedings Paper

Conformational Barriers To Internal Rotation Of Methyl Vinyl Ketone
Author(s): T. S. Little; J. R. Durig
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Paper 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.

Paper Details

Date Published: 29 October 1981
PDF: 4 pages
Proc. SPIE 0289, 1981 Intl Conf on Fourier Transform Infrared Spectroscopy, (29 October 1981); doi: 10.1117/12.932191
Show Author Affiliations
T. S. Little, University of South Carolina (United States)
J. R. Durig, University of South Carolina (United States)


Published in SPIE Proceedings Vol. 0289:
1981 Intl Conf on Fourier Transform Infrared Spectroscopy
Hajime Sakai, Editor(s)

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