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

Vibrational Raman optical activity (ROA) spectra of 3-methylcyclopentanone with excellent signal-to-noise ratio obtained on a new ROA spectrometer and corresponding ab initio theoretical ROA spectra obtained with 6-31 G and 6-31 G** basis sets are presented. The experimental ROA spectra for the (+) enantiomer compares well with the predicted ROA spectra for the (R) configuration of 3-methylcyclopentanone. This allows us to confidently suggest the origins of the major ROA signals present in the experimental spectrum.