Experimental and Theoretical Investigations of Organic Reaction Rates and Mechanisms

点击翻译按钮获取中文摘要

With this renewal proposal the Organic and Macromolecular Chemistry Program supports the ongoing work of Dr. Kendall N. Houk in the Department of Chemistry at the University of California, Los Angeles. The work is aimed at using theoretical and computational methods to address four projects, pericyclic mechanisms, molecular device design, biological catalysis, and organometallic mechanisms. Houk is the world leader in the computational study and understanding of pericyclic reactions. He continues to make key contributions on methodology for accurate predictions of activation parameters, and in unraveling mechanistic details including competitions between concerted and diradical alternatives. Through the proposed work we will gain a better understanding of stepwise pericyclic reactions, which is intellectually challenging, and of synthetic importance. In addition, the PI continues to apply his expertise in pericyclic reactions and computational methods to new areas using theoretical methods that are complemented by experimental studies. The research provides valuable experience for undergraduate, graduate, and postdoctoral students.With this Award, the Organic and Macromolecular Chemistry Program of the Division of Chemistry supports the research activities of Professor Kendall N. Houk of the University of California- Los Angeles. Professor Houk's work in the application areas of molecular device and materials and biological catalysis overlap strongly with technology areas of importance to the U.S. The current period of funding will allow the fundamental knowledge generated by Prof. Houk to be transferred into other application areas that could bolster America's competitive edge in chemical technology.