Vibrational Raman optical activity in (R)-(+)-3-methylcyclopentanone: experimental and ab initio theoretical studies

Abstract

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 6-31G and 6-31G ** 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