Second-Row Substituents and Microsolvation Effects on Nucleophilic Reactivity at Carbonyl Groups

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The focus of this research is a combination of experimental and computational studies of carbonyl reactivity. Variable temperature flowing afterglow (VT-FA) measurements coupled with high level ab initio calculations will be used to probe the reactivity of a variety of carbonyl groups towards nucleophilic attack. Furthermore, the study will explore solvent effects in these reactions under microsolvation conditions. As a major focus of the educational activities, the use of the internet as an important adjunct to the teaching of undergraduate organic chemistry will be developed. With this Faculty Early Development (CAREER) award, the Organic and Macromolecular Chemistry Program is supporting the research and educational activities of Dr. Christopher M. Hadad of the Department of Chemistry at Ohio State University. Professor Hadad will focus his research efforts on studying the fundamental requirements for reactivity at carbonyl (C=O) groups to assess the importance of the leaving group, the electronic requirement of the carbonyl carbon and the effect of solvent (water) on these reactions. Carbonyl groups are fundamentally important in organic chemistry as well as in biological systems. For example, they are central to a variety of enzyme functions under aqueous conditions. The educational focus of the award centers on the use of the internet in curriculum development