The chiral asymmetry of R-(-)1,3-butanediol as revealed by its Raman differential bond polarizabilities

Abstract

The Raman optical activity (ROA) of (R)-(-)-1,3-butanediol was described through the analysis of bond polarizability and differential bond polarizability, which were elucidated by Raman and ROA spectral intensities, respectively. Analysis shows that during the Raman process, the charge flows from the (six) rings formed by H16 (or H15) O6C3C2C1O5 to the peripheral OH and CH bonds. The analysis also shows that the signs of differential bond polarizabilities associated with the rings inside and outside are opposite. This means that the chiral asymmetry of this molecule is fairly distinct.