Theoretical and Experimental Investigations of Photoheterolysis Reactions

有了这一奖项，化学结构动力学和机制-B计划支持爱荷华州立大学阿瑟·温特教授的研究。温特教授试图理解光化学反应的结构-反应性原理，长期目标是开发一个将化学结构与反应性联系起来的预测性理论模型。这项研究的重点是某些类型的结构为什么会分裂形成离子。本研究采用理论与实验相结合的方法。光化学反应在生物学和环境化学中有着广泛的应用。建立基本键断裂的基本机制有助于更广泛地理解光化学反应的指导原则。温特教授通过大学新生研究计划，让大学新生参与早期的多学科研究体验。这项研究为本科生和来自代表不足群体的学生提供了研究机会。为了研究光异源分解反应，温特教授采用了理论和实验相结合的方法。高水平的计算方法被用来绘制已知通过异解进行的选定反应中的激发态过渡态和表面交叉拓扑。超快飞秒分辨瞬时吸收光谱被用来确定模型衬底上的光异质分解反应的速率和机理，而高水平激发态计算则是为了提供一个机理基础。这种理论和实验的结合决定了结构对模型体系中光释放速率和机理的影响。温特教授在ISU领导着一个新生研究计划，让新生参与一个早期的多学科研究项目。他还继续与著名女科学家(厨师)倡议进行聊天，包括对成功学者的在线视频采访，为对学术生涯感兴趣的学生提供见解和建议。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

With this award, the Chemical Structure Dynamics and Mechanisms-B Program supports the research of Professor Arthur Winter at Iowa State University. Professor Winter seeks to understand the structure-reactivity principles for photochemical reactions, with the long-term goal of developing a predictive theoretical model that relates chemical structure to reactivity. The research focuses on why certain types of structures break apart to form ions. The research uses a combination of theory and experiment. Photochemical reactions have broad applications in biology and environmental chemistry. Establishing the basic mechanisms for fundamental bond breaking contributes to the broader challenge of understanding the guiding principles in photochemical reactions. Professor Winter engages college freshman in an early multidisciplinary research experiences through the Freshman Research Initiative. This research provides research opportunities for undergraduates and students from under-represented groups. To study photoheterolysis reactions, Professor Winter uses a joint theoretical/experimental approach. High-level computational methods are used to map excited state transition states and surface crossing topologies in selected reactions which are known to proceed by heterolysis. Ultrafast femtosecond-resolved transient absorption spectroscopy is used to determine the rates and mechanisms of photoheterolysis reactions on model substrates, while high-level excited state calculations are designed to provide a mechanistic rationale. This combination of theory and experiment determines the effect of structure on the rates and mechanisms of photorelease in model systems. The Professor Winter leads a Freshman Research Initiative at ISU that engages freshmen in an early multidisciplinary research program. He also continues his Chats with Eminent Female Scientists (ChEFS) Initiative, involving online video interviews with successful academics, providing insights and advice for students interested in an academic career.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.