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Research Abstracts Online
January - December 2011

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College of St. Benedict/St. John's University
Department of Chemistry

PI: Neil Tomson

DFT and Ab Initio Computational Studies of Dinuclear Transition Metal Complexes Bearing Redox Active Ligands

As the sophistication of catalytic inorganic and organometallic chemistry increases, so too do the requirements that new catalysts offer greater control over complex reaction schemes. The surfaces of noble-metal heterogeneous catalysts are well known to perform varied and complex transformations on small molecules, suggesting that molecular compounds with characteristics similar to those of noble-metal surfaces may be of interest. Research conducted during 2011 involved the search for synthetic targets suitable for performing noble-metal-type catalysis with soluble, base-metal compounds.  Ligands capable of both decreasing the inter-electron repulsion within d-orbitals and stabilizing multi-metallic cluster assemblies were investigated.