Vibrational Spectroscopy and Reaction Dynamics of Complexes and Reactive Intermediates

配合物和反应中间体的振动光谱和反应动力学

• 批准号: 0412678
• 负责人: Marsha Lester
• 金额: $ 45.1万
• 依托单位: University of Pennsylvania
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-08-01 至 2007-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0412678&HistoricalAwards=false
• 关键词: Vibrational; Spectroscopy; Reaction; Dynamics; Complexes

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.

在这个由化学系实验物理化学计划资助的项目中，宾夕法尼亚大学的玛莎·莱斯特教授将研究分子缔合和活性中间体，这些中间体预计在羟基自由基与地球大气中重要分子伙伴的反应中发挥作用。 红外光谱将被用来确定五元和六元环状配合物，推断是重要的氢提取反应的羟基自由基与硝酸，过氧化氢，丙酮。 羟基和二氧化氮，羟基和一氧化碳之间的反应的中间体也将进行研究。 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制提供新的见解。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，为深造或在我国经济的科学/技术部门就业做好准备。 研究结果也将通过为高中教师，本科非科学专业和研究生开发的课程适用于课堂使用。