High Resolution Spectroscopy of Metal-Containing Species: Examining Metal-Ligand Interactions

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In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. Lucy M. Ziurys of the University of Arizona will use high-resolutional millimeter- and submillimeter-wave rotational spectroscopy to study small organometallic monomeric species in the gas phase. Among the molecules to be investigated are short-lived transition metal alkyl compounds, alkali carbenes, methylidynes, carbides, and metal amides that have not been studied by any spectroscopic method. Obtaining the pure rotational spectra of these metal-bearing molecules will enable numerous properties of these compounds to be determined, such as the electronic ground-state configuration and information about the metal-ligand bonding, the degree of ionic versus covalent bonding, and the presence of inversion barriers. The data will provide a data base for testing theories of the coupling of angular momenta.The data obtained in this study will provide information on the bonding of metals to various different kinds of organic molecular groups. These results can therefore provide fundamental insight into the mechanisms involved in catalytic reactions on metal-containing surfaces and thus has an impact on manufacturing of chemicals and chemical vapor deposition.