Energetics and Dynamics of H-H,C-H, and C-C Bond Activation by Transition Metal Atoms and Complexes

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In this Faculty Early Career Development Award funded by the Experimental Physical Chemistry Program in the Chemistry Division, Harry Floyd Davis of Cornell University will study the physical and chemical interactions between neutral transition metal atoms and complexes and small covalent molecules such as methane. Laser ablation will be used to produce sufficient quantities of transition metals which will react with a molecular beam of the covalent molecule. Laser spectroscopies will be used to excite the resulting complex in either the van der Waals region or the insertion intermediate region of the potential surface. Electronic excitation and vibrational overtone excitation will be used to obtain information on excited state and ground state unimolecular decomposition products by measuring angular distributions and branching ratios. Studies of bimolecular reactions using different initial electronic configurations of the transition metal will also be undertaken. The educational component of the program will involve undergraduates in studying chemical reactions at the fundamental level in a research environment less structured than regular undergraduate laboratory sessions. Transition metals are important in a wide variety of catalytic systems involving organic and inorganic molecules. Professor Davis will study the effects of electronic structure and energy in reactions of transition metal atoms with small covalent molecules. A determination of these effects is important in controlling reactivities and understanding the mechanisms involved in catalysis.