Theoretical and Experimental Investigations of Photoheterolysis Reactions

通过这一奖项，化学结构动力学和机制B计划支持爱荷华州立大学阿瑟·温特教授的基础研究。温特教授将研究碳离开基团(C-LG)键的光异构解反应的结构-反应性原理。光异构化反应产生离子初始产物，在生物过程、材料科学和环境化学应用中具有重要意义。这项研究的长期目标是产生一个预测的理论框架，将化学结构与异解键断裂的激发态反应活性联系起来。理解简单原型光反应的机理原理将有助于更广泛地理解光化学中的指导机理原理。作为他更广泛的Impact努力的一部分，温特教授将进一步开发一个“与杰出女科学家聊天倡议”，其中包括对杰出女科学家的视频采访。这些访谈将被发布在网上，为对学术生涯感兴趣的学生提供见解和建议。他还将继续招募本科生和在STEM学科中代表性不足的团体成员进入他的实验室。为了研究这些光异分解反应，PI将采用理论和实验相结合的方法。高能级量子力学方法将被用来映射模型系统中的激发态过渡态和表面交叉拓扑。在实验上，光谱学将确定结构对模型体系中光释放速率和机制的影响。

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.