VIBRATIONAL RAMAN OPTICAL-ACTIVITY IN (R)-(-3-METHYLCYCLOPENTANONE - EXPERIMENTAL AND AB-INITIO THEORETICAL-STUDIES())

Vibrational Raman optical activity (ROA) spectra of 3-methylcyclopenta none with excellent signal-to-noise ratio obtained on a new ROA spectr ometer and corresponding ab initio theoretical ROA spectra obtained wi th 6-31 G and 6-31 G* basis sets are presented. The experimental ROA spectra for the (+) enantiomer compares well with the predicted ROA sp ectra for the (R) configuration of 3-methylcyclopentanone. This allows us to confidently suggest the origins of the major ROA signals presen t in the experimental spectrum.