P. Polavarapu, T. Black, L. Barron
Aug 1, 1993
Citations
0
Influential Citations
16
Citations
Journal
Journal of the American Chemical Society
Abstract
Vibrational Raman optical activity (ROA) spectra of 3-methylcyclohexanone with excellent signal-to-noise ratio obtained on a new ROA spectrometer and corresponding ab initio theoretical ROA spectra obtained with 6-31G and 6-31G * basis sets are presented. The experimental ROA spectrum for the (+)-enantiomer compares well with the predicted ROA spectra for the (R)-configuration of 3-methylcyclohexanone. This allows us to confidently suggest the origins of several bisignate couplets present in the experimental spectrum which had previously attracted much speculative discussion