RUI: Intermolecular Interactions and the Pathways of Chemical Reactions

RUI：分子间相互作用和化学反应途径

• 批准号: 1111504
• 负责人: Helen Leung
• 金额: $ 22万
• 依托单位: Amherst College
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-08-01 至 2015-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1111504&HistoricalAwards=false
• 关键词: RUI; Intermolecular; Interactions; Pathways; Chemical

In this project, funded by the Chemical Structure, Dynamics and Mechanisms Program of the Chemistry Division, Prof. Helen O. Leung and Prof. Mark D. Marshall of Amherst College and their undergraduate research students will investigate pathways of chemical reactions through the analysis of rotational spectra obtained via Fourier transform microwave spectroscopy. Included in these studies are the interactions responsible for bringing molecules together for reaction. This involves the interplay between electrostatic and steric effects. They will be explored in systematic studies of gas-phase intermolecular complexes between protic acids and haloethylenes, the first signs of electron rearrangement that signal the start of chemical reaction in complexes containing the reactive hydroxyl radical, and the ultimate disposition of chemical energy at the end of reaction by determining the partitioning of energy among the internal degrees of freedom of sulfur dioxide produced in thermal extrusion reactions.This work will contribute to a better fundamental understanding of the basic principles responsible for the chemical transformation of matter and could potentially have direct application to the chemistry of the atmosphere and of combustion. Through it, Prof. Leung and Prof. Marshall will provide their undergraduate research students with the opportunity to perform demanding experiments where they learn to integrate and apply material learned in the classroom and to communicate their findings through presentations at national profession meetings and publications in the scientific literature.

在这个由化学学部化学结构、动力学和机理项目资助的项目中，阿默斯特学院的Helen O. Leung教授和Mark D. Marshall教授及其本科生将通过分析傅里叶变换微波光谱获得的旋转光谱来研究化学反应的途径。这些研究包括使分子聚集在一起进行反应的相互作用。这涉及静电和空间效应之间的相互作用。它们将在质子酸和卤代乙烯之间的气相分子间络合物的系统研究中进行探索，在含有活性羟基自由基的络合物中，电子重排标志着化学反应开始的第一个迹象，以及通过确定热挤压反应中产生的二氧化硫的内部自由度之间的能量分配，在反应结束时化学能的最终配置。这项工作将有助于更好地理解物质化学转化的基本原理，并有可能直接应用于大气化学和燃烧化学。通过这个项目，梁教授和马歇尔教授将为他们的本科生提供机会，让他们进行高要求的实验，学习整合和应用课堂上学到的材料，并通过在国家专业会议和科学文献出版物上的演讲来交流他们的发现。