With this renewal award, the Organic and Macromolecular Chemistry Program continues its support of the work of Professor Kenneth B. Wiberg, of the Chemistry Department at Yale University. The research will combine experimental and theoretical techniques to investigate electronically excited states and spectral properties of organic molecules. Studies directed toward an understanding of the molecular factors responsible for properties such as optical rotatory strength, ultraviolet and visible absorptions, and NMR chemical shifts, which all involve electronically excited states, will be carried out. The goal of these investigations is not only to undertake accurate calculations of these properties but also to provide an understanding of the electronic effects that determine their magnitudes. The experimental data will also provide tests of the adequacy of the theoretical methods in reproducing experimental results.
These studies, with their potential of leading to a theory of the molecular basis of optical activity are expected to have broad positive impact upon the biological and pharmaceutical communities.
