Junji Shibano, Tomoaki Matsumoto, T. Ishida
Nov 1, 1988
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0
Influential Citations
3
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract Microwave spectra of trans -2-butenoic acid (crotonic acid) and its deuterated species have been investigated. Analysis of the spectra reveals that this molecule exists in two forms, s-trans and s-cis , in the gas phase. The r s coordinates of the hydrogen atom in the OH group have been determined. The barriers to methyl internal rotation are 1830 and 1750 cal mol −1 for the s-trans and s-cis forms, respectively. The dipole moment of this molecule was estimated from ab initio calculation and from this the ratio of the amounts of the two conformers was estimated.