Matrix Isolation and Theoretical Studies of the Reactivity of High Valent Transition Metal Compounds

University Of Cincinnati Main Campus, Cincinnati OH

Investigators

Abstract

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Ault will investigate the oxidation/reduction reactions in transition metal compounds. Specifically, these include metal oxo compounds, using chromyl chloride, CrCl2O2, vanadium oxytrichloride, OVCl3, and methyltrioxorhenium, CH3ReO3, as prototype systems. Another class of systems to be studied is the organic peroxides of which hydrogen peroxide is the prototype. The goals of this work are: 1)Identification of the key intermediates in the reaction pathway; 2) Sspectroscopic and structural characterizations of the intermediates; 3) Ccomparison of the experimental results with those obtained from high level ab initio calculations; and 4) Mechanistic studies of these reactions. While of intrinsic interest to chemistry, the results of this work will have wide applications ranging from organic synthesis to CVD thin film formation. The PI has an excellent record of involving graduate and undergraduate students in his research. They receive valuable training in preparation for advanced studies and entry into the scientific/technological workforce.