Synthesis and Reactivity of Metallaradicals

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This award from the Inorganic, Bioinorganic and Organometallic Chemistry Program of the Chemistry Division supports Dr. Klaus Theopold, Chemistry Department, University of Delaware, for research into the reaction chemistry of paramagnetic organometallic chromium and vanadium compounds. First, the synthesis of paramagnetic alkyls of chromium and vanadium coordinated by various nacnac-ligands will be developed. Important goals of this effort are the synthesis and structural characterization of single molecule catalysts for olefin polymerization. Secondly, high oxidation state chromium chemistry will be developed. This will include an exploration of oxo alkyls both with and without Cp-ligands, and the preparation of catalysts for O2-driven oxidation. Finally, new ligands, including bidentate carbenes, will be utilized to support paramagnetic organometallics. This project is fundamental in nature but will have practical impact on commercial catalyst development. The work will examine how oxygen atom transfers to and hydrogen is abstracted from hydrocarbons takes place with presently employed hexavalent chromium catalysts. Additionally, alternative catalysts that are more environmentally benign than those now used will be developed. Undergraduate and graduate students will experience a varied research culture and will gain a strong background in synthetic chemistry which is in high demand in chemical and pharmaceutical companies.