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Research Abstracts Online
January 2010 - March 2011

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University of Minnesota Twin Cities
College of Science and Engineering
Department of Chemistry

PI: Connie C. Lu

Theory-Guided Development of Catalysts for Small Molecule Activation

The Lu group is interested in developing transition metal systems that catalyze the reduction of small molecules. They have recently made a cage ligand that is intended to shut down bimolecular decomposition reactions, which often plagues small-molecule reactivity. DFT calculations are used to guide design principles that are of interest, including cage cavity size, metal redox potentials, etc. Experimental efforts are on-going to test and refine these design principles. A secondary project is to explore the characteristics of a wide bite-angle diphosphine ligand that the group has recently made. The ligand has been observed to coordinate transition metals in two conformers, cis and trans. The researchers are interested in understanding and exploiting this conformational dynamism to drive chemical reactions.

Group Members

Keying Ding, Research Associate
Elodie E. Marlier, Graduate Student
Deanna Miller, Graduate Student
Paul Alex Rudd, Graduate Student
Stephen J. Tereniak, Graduate Student
Christopher Zall, Graduate Student