RUI: Intermolecular Interactions and the Pathways of Chemical Reactions

本研究由化学系化学结构、动力学和机理研究计划资助，由美国加州大学伯克利分校的Helen O。Leung和Mark D.阿默斯特学院的马歇尔和他们的本科研究生将通过分析通过傅里叶变换微波光谱学获得的旋转光谱来研究化学反应的途径。 这些研究包括负责将分子聚集在一起进行反应的相互作用。这涉及静电效应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，这些络合物是电子重排的第一个迹象，表明含有活性羟基的络合物中化学反应的开始，以及通过确定热挤压中产生的二氧化硫的内部自由度之间的能量分配来确定反应结束时化学能的最终配置这项工作将有助于从根本上更好地了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。 梁教授和马歇尔教授将透过这项计划，为本科研究生提供机会，让他们进行要求严格的实验，学习如何整合和应用课堂上所学的材料，并透过在全国专业会议上的演讲和在科学文献上发表文章，传达他们的研究成果。

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.