Transition-Metal Catalysts for Insertion of Unsaturates into C-H Bonds

Alan Goldman and Karsten Krogh-Jespersen, Department of Chemistry, Rutgers University, are supported by the Inorganic, Bioinorganic and Organometallic Chemistry Program for the development of transition metal catalysts for the insertion of unsaturated small molecules into carbon-hydrogen bonds. Their approach includes computational screening, synthesis, evaluation of potential catalysts, and mechanistic studies incorporating both experiment and theory. The synthetic and computational catalyst development is based on an iridium complex with a tridentate pincer ligand. The first generation catalysts in this system show promising activity with respect to the insertion of carbon monoxide and olefins into carbon-hydrogen bonds.

This project incorporates experimental and computational approaches to catalyst design and may develop methods and approaches applicable to many other systems. Students and postdoctoral research associates will learn how to use both sets of tools. The activation and functionalization of carbon-hydrogen bonds is a major challenge in catalysis science. Potential applications, in areas ranging from organic synthesis to petroleum chemistry, include alkane dimerization, carbonylation of alkyl groups to give aldehydes, and the alkylation of aromatics.