Structure and Dynamics from Oriented/Aligned Photodecomposition Reactions

定向/对齐光分解反应的结构和动力学

• 批准号: 9809151
• 负责人: Delroy Baugh
• 金额: $ 37.88万
• 依托单位: University of California-Los Angeles
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-08-15 至 2002-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9809151&HistoricalAwards=false
• 关键词: Structure; Dynamics; Oriented; Aligned; Photodecomposition

In this project in the Experimental Physical Chemistry Program of the Chemistry Division, Prof. Delroy Baugh of the University of California at Los Angeles will conduct experiments on state-to-state studies of fast photo-initiated unimolecular reactions. The goal of these studies is to determine structural and dynamical information regarding the molecular fragmentation process with an emphasis on separating the role of nuclear dynamics from that of the electronic orbital effects. By selecting the states of the parent and resolving the state of the products, Baugh can obtain an unprecedented degree of detail that allows stringent testing of electronic structure computations and quantal scattering methodology.This research is directed at determining the potential energy surfaces that control elementary chemical reactions. Molecules are initially prepared in well-defined quantum states, which allows detailed tracking of the reaction process. The results of this work will play a significant role in validating existing theories of chemical reactions on the molecular level. Insights into atmospheric or combustion chemistry may be expected to result from these studies.

在化学系实验物理化学计划的这个项目中，加州大学洛杉矶分校的Delroy Baugh教授将进行快速光引发单分子反应的状态对状态研究的实验。 这些研究的目标是确定有关分子碎裂过程的结构和动力学信息，重点是将核动力学的作用与电子轨道效应的作用分开。 通过选择母体的状态和解析产物的状态，Baugh可以获得前所未有的详细程度，从而可以对电子结构计算和量子散射方法进行严格的测试。 分子最初是在定义明确的量子态中制备的，这允许详细跟踪反应过程。 这项工作的结果将在分子水平上验证现有的化学反应理论方面发挥重要作用。 通过这些研究，可望对大气化学或燃烧化学有所了解。