Vibrational Spectroscopy and Reaction Dynamics of Complexes and Reactive Intermediates

在这个由化学学部实验物理化学项目资助的项目中，宾夕法尼亚大学的Marsha Lester教授将研究在地球大气中羟基自由基与重要分子伙伴的反应中预测起作用的分子关联和活性中间体。红外光谱将用于识别五元和六元环状配合物，这些配合物被推断在羟基自由基与硝酸、过氧化氢和丙酮的吸氢反应中起重要作用。羟基与二氧化氮、羟基与一氧化碳反应的中间体也将被研究。通过这些研究，将对羟基加合物和中间体的结构、稳定性和解离/反应动力学进行研究，从而为大气中氢原子转移和自由基缔合反应的机理提供新的见解。研究生和本科生，包括女性和代表性不足的少数民族成员，以及博士后研究助理将参与这项研究。他们将获得知识和技能，为深造或在香港经济的科技部门就业做准备。研究结果还将通过为高中教师、本科非科学专业学生和研究生开发的课程应用于课堂。

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. Marsha Lester of the University of Pennsylvania will investigate molecular associations and reactive intermediates that are predicted to play a role in the reactions of hydroxyl radicals with molecular partners of significance in the earth's atmosphere. Infrared spectroscopy will be used to identify five- and six-membered cyclic complexes that are inferred to be important in the hydrogen abstraction reactions of hydroxyl radicals with nitric acid, hydrogen peroxide, and acetone. The intermediates of the reactions between hydroxyl and nitrogen dioxide, and hydroxyl and carbon monoxide will also be investigated. Through these studies the structure, stability, and dissociation/reaction dynamics of the hydroxyl adducts and intermediates will be examined, thereby providing new insights on the mechanisms for hydrogen atom transfer and radical association reactions in the atmosphere.Graduate and undergraduate students, including women and members of underrepresented minorities, and postdoctoral research associates will participate in this research. They will acquire knowledge and skills in preparation for advanced studies or employment in the scientific/technological sectors of our economy. The research findings will also be adapted for classroom use through courses developed for high school teachers, undergraduate nonscience majors, and graduate students.