Absolute Configuration of Bromochlorofluoromethane from Experimental and Ab Initio Theoretical Vibrational Raman Optical Activity

Abstract

After more than 100 years, the absolute configurations of the dextro- and levorotatory enantiomers of bromochlorofluoromethane 1, one of the simplest chiral molecules, have now been determined. Comparison of the measured Raman optical activity spectrum (in the range of vibrational modes) of an enantiomerically enriched sample of 1 with the calculated spectra allow the assignments (S)-(+) and R-(−) to be made.