Analysis of molecular configuration and conformation by (electronic and) vibrational circular dichroism: Theoretical calculation and exciton chirality method

Abstract

The configuration and conformation of a molecule affect its bioactivity, reactivity, physical properties, etc., but the analysis of such stereostructures is often difficult and time-consuming. Having envisioned the usefulness of VCD (vibrational circular dichroism) spectroscopy and theoretical VCD/ECD (electronic circular dichroism) calculations in the field of natural product chemistry, the author has applied these techniques to various natural products and other organic molecules. This account describes the author's studies on molecular structural analysis by means of VCD/ECD theoretical calculations as well as exciton chirality methods. Advantages and limitations of these techniques are also briefly discussed.