Identification of Organometallic Complexes for Organic Synthesis by Diffusion NMR

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The Chemical Structure, Dynamics and Mechanisms Program supports Professor Paul G. Williard at Brown University who will provide greater understanding of the solution structure and reactivity of important organometallic reagents while further expanding the utility of the Diffusion-Ordered NMR Spectroscopy (DOSY) method. Professor Williard describes the continued development and application of DOSY with respect to understanding aggregation of organometallic reagents used broadly in synthetic chemistry and outlines its extension to other unrelated systems showing the range and potential for the method. The research proposed includes topics such as, ligand and solvent exchange processes in organolithium reagents, diffusion across membranes, examination of membranes for battery applications, mixed aggregates, the chiral memory effect, and the selectivity of deprotonation reactions. The examination of mechanistic details has the potential to form the foundation for new chemical transformations with great societal impact, for example, drug synthesis, novel materials for energy applications and less negative environmental impact. The research will develop an important new method designed to extend the use of nuclear magnetic resonance spectroscopy beyond the traditional bounds of structure elucidation/structure determination and into the realm of utilizing this powerful spectroscopic technique to determine size and molecular weight parameters of multicomponent mixtures. Professor Paul G. Williard will help to solve problems of national importance in the realm of energy and fuel production. Broader impacts include international collaborations, working with inner city public high schools, and attracting underrepresented minority undergraduate and graduate students to work in his laboratory, liaising with the Brown University Leadership Alliance Program and the NSF ADVANCE Program.