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

基本信息

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

项目摘要

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.

在该项目中，由化学系实验物理化学项目资助，宾夕法尼亚大学的 Marsha Lester 教授将研究预计在羟基自由基与重要分子伙伴的反应中发挥作用的分子缔合和反应性中间体在地球大气层中。红外光谱将用于识别五元和六元环状配合物，这些配合物被认为在羟基自由基与硝酸、过氧化氢和丙酮的夺氢反应中很重要。羟基与二氧化氮、羟基与一氧化碳之间反应的中间体也将被研究。通过这些研究，将检查羟基加合物和中间体的结构、稳定性和解离/反应动力学，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，包括女性和女性代表性不足的少数族裔成员和博士后研究员将参与这项研究。他们将获得知识和技能，为进一步学习或在我们经济的科学/技术部门就业做好准备。研究结果还将通过为高中教师、非科学专业本科生和研究生开发的课程来适应课堂使用。