Chemical Applications of Vibrational Circular Dichroism Spectroscopy

University Of Southern California, Los Angeles CA

Investigators

Abstract

Dr. Philip J. Stephens of the University of Southern California is funded for his research on chemical applications of vibrational circular dichroism spectroscopy by a grant in the Physical Chemistry program of the Chemistry Division. Dr. Stephens will develop instrumental and theoretical methods for the measurement and prediction of the vibrational circular dichroism (VCD) spectra of chiral molecules and will apply VCD spectroscopy to the elucidation of the stereochemistries of chiral molecules. A dual-modulation methodology will be implemented for the reduction of polarization artefacts and the enhancement of the sensitivity of VCD instrumentation. The ab initio DFT/GIAO methodology for predicting vibrational rotational strengths will be improved by inclusion of anharmonicity and solvent effects. Applications will focus on the determination of absolute configuration and conformational analysis. Chiral molecules exist in two forms - enantiomers - which are mirror images. The different biochemical behavior of enantiomers of a pharmaceutical molecule is leading to increasing development of single enantiomer, chiral drugs. Methods for efficiently characterizing the structures of chiral molecules are therefore of increasing importance. Dr. Stephens will develop the methodology of vibrational circular dichroism (VCD) spectroscopy, a technique for studying chiral molecules. New methods will be developed for measuring and predicting VCD spectra with much greater accuracy than heretofore possible, which in turn will greatly enhance the application of VCD spectrosopy to the structural characterization of chiral molecules, including chiral drugs. Graduate students and postdoctoral associates will be trained in these techniques.