Experimental and Theoretical Studies of Bifunctional Organometallic Catalysis

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This project intends to develop new catalysts for organometallic reactions using the design principles of Nature's enzymes. Addition and isomerization reactions are the focus of the research, because they are atom-economical and waste-free. Bifunctional catalysts with reactivity of both a late transition metal and a group capable of proton transfer or hydrogen bonding will be studied. The coordination, hydrogen-bond donating and accepting properties of both catalytically active and inactive complexes will be studied in order to explain how they function as catalysts. The reaction mechanisms will also be modeled by computing the maps of the reaction potential energy surfaces using density functional theory. With this award, the Organic and Macromolecular Chemistry Program is supporting the research of Professors Douglas Grotjahn and Andrew L. Cooksy of the Department of Chemistry and Biochemistry at San Diego State University. Their research efforts revolve around the development of new classes of catalysts for the addition of water, alcohols, or similar compounds to C-C double and triple bonds. A novel feature of the catalysts is that a metal and an organic group work together to enhance catalytic efficiency. Such chemistry will contribute to environmentally benign methods for chemical synthesis since the reactions produce no waste and are catalyzed. Successful development of the methodology will have an impact on synthesis in the pharmaceutical and agricultural industries.