Intramolecular Dynamics of Organic Reactions

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This project explores reaction dynamics from a theoretical as well as an experimental standpoint. The overall purpose is to investigate the extent to which nonstatistical dynamics play a role in normal thermal reactions. Results already in hand suggest that these dynamics may be quite important. Collaborative theoretical work will explore the dynamics of carbene formation and their rearrangements, the Cope rearrangement, and conformational dynamics of small peptides. Experimental studies will seek to provide evidence of nonstatistical effects in carbene rearrangements and reactions in supercritical fluids.With this Award, the Organic and Macromolecular Chemistry Program continues support for Professor Barry K. Carpenter of Cornell University-Endowed. Professor Carpenter studies the intricacies of organic chemical reactions with a view to understanding more fully the assumptions that underlie organic chemists' ideas about how they work. Carpenter and his collaborators will use computer simulations to test hypotheses and formulate theoretical results, which will then be tested in the laboratory for validity.