BOND-POLARIZABILITY RAMAN OPTICAL ACTIVITY CALCULATIONS OF (S)-(-)- EPOXYPROPANE AND COMPARISON TO EXPERIMENT.

Address of J. R. Escribano: Department of Chemistry, Syracuse University, Syracuse, NY 13244-1200 Address of L. D. Barron: Department of Chemistry, The University, Glasgow G12 BQQ UKAuthor Institution:A revision of the bond-polarizability theory of Raman optical activity (ROA) has been carried out and applied to (S)-(-)-epoxypropane. This molecule is particularly interesting because a force field has been attempted, all its bonds are axially symmetric and the depolarized ROA spectrum is published. The correlation obtained does not match all $\Delta_{z}$ experimental values but seems reasonable considering the quality of the theoretical data (force constants and electrooptic parameters)