Theoretical and Experimental Investigations of Photoheterolysis Reactions

Iowa State University, Ames IA

Investigators

Abstract

With this award, the Chemical Structure Dynamics and Mechanisms B Program is supporting the fundamental research of Professor Arthur Winter at Iowa State University. Professor Winter will investigate the structure-reactivity principles for photoheterolysis reactions of carbon-leaving group (C-LG) bonds. Photoheterolysis reactions generate ionic initial products and are important in biological processes, materials science, and environmental chemistry applications. The long-term goal of this research is to generate a predictive theoretical framework that relates chemical structure to excited state reactivity for heterolytic bond scission. Understanding the mechanistic principles for simple archetypal photoreactions will contribute to the broader challenge of understanding the guiding mechanistic principles in photochemistry. As part of his Broader Impacts effort, Professor Winter will further develop a "Chats with Eminent Female Scientists Initiative" that involves video interviews with eminent female scientists. These interviews will be posted online to provide insights and advice for students who are interested in an academic career. He will also continue to recruit undergraduates and members of groups underrepresented in the STEM disciplines into his lab. To study these photoheterolysis reactions, the PI will employ a joint theoretical/experimental approach. High-level quantum mechanical methods will be used to map the excited state transition states and surface crossing topologies in model systems. Experimentally, spectroscopy will determine the effect of structure on the rates and mechanisms of photorelease in model systems.