1,2-Addition of C-H Bonds Across Metal-Heteroatom Bonds: Study of Reactions Central to Hetero-Functionalization of C-H Bonds

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This Research award in the Inorganic, Bioinorganic and Organometallic Chemistry program supports work by Professor T. Brent Gunnoe at the University of Virginia to probe the activation of carbon-hydrogen bonds by transition metal complexes. Formally anionic heteroatomic ligands coordinated to high d-electron count transition metals exhibit reactivity patterns consistent with highly basic and nucleophilic character. This feature can potentially be exploited to develop new catalysts for C-H activation and functionalization, and the mechanistic studies of the 1,2-addition of C-H bonds across metal-heteroatom bonds will provide fundamental details that are key to the development of catalysts for hydrocarbon functionalization. The strategy is to build multiple transition metal based platforms upon which to study the C-H activation transformations in an effort to develop an understanding of the impact of metal identity, oxidation state and heteroatom ligand identity on the reaction rates and substrate selectivity. The research program will provide a training ground for undergraduate and graduate students in the areas of organometallic chemistry and development of homogeneous catalysts. In addition, a portion of the proposed research is in collaboration with a PI from a primarily undergraduate institution, thereby providing undergraduates with an opportunity for a productive research experience.The selective functionalization of hydrocarbons is important to the commodity chemical sector, fine chemical synthesis and the efficient utilization of fossil fuels as energy resources. New methods for selective hetero-functionalization of hydrocarbons can provide important new synthetic paradigms with broad impact.