RUI: Mechanisms of Electrophilic Carbene Additions to Strained Cyclic C-C Bonds

Barnard College, New York NY

Investigators

Abstract

With this new award, the Organic and Macromolecular Chemistry Program supports the work of Professor Dina C. Merrer of the Chemistry Department at Barnard College. This research project will involve a combined experimental and computational approach to the study of the reactions of energetic intermediates. In particular, the reactions of carbenes, divalent carbon intermediates, with a variety of strained organic molecules will be studied. Reactions to be investigated include the addition of halocarbenes to cyclopropanes, bicycloalkanes, and propellanes. Molecular dynamics calculations will be carried out to precisely define the potential energy surfaces for these reactions. The experimentally measured reaction rates and product distributions will then be used to evaluate the accuracy of these calculations. These investigations, which are expected to increase our understanding of the extent that high-energy reactions are governed by dynamic effects, are likely to have an important impact upon mechanistic chemistry. In addition, this proposal will provide training in modern experimental and computational chemistry designed to encourage bright and capable women to pursue careers in science.