VIBRATIONAL CIRCULAR DICHROISM CALCULATIONS IN SELECTED SMALL MOLECULES

Abstract

Vibrational circular dichroism calculations using a fixed partial charge model applied to the results of a normal coordinate analysis will be presented for the series of molecules, 1,1,1-bromochlorofluoroethane, 1,1-chlorofluoroethane and alanine. The results of these calculations will be compared to the experimentally determined VCD spectrum of alanine in the hydrogen stretching region.