Dynamics of Radical Intermediates in Tropospheric Chemistry

对流层化学中自由基中间体的动力学

• 批准号: 1152043
• 负责人: Laurie Butler
• 金额: $ 50.93万
• 依托单位: University of Chicago
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-03-01 至 2015-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1152043&HistoricalAwards=false
• 关键词: Dynamics; Radical; Intermediates; Tropospheric; Chemistry

Laurie Butler of the University of Chicago is supported by an award from the Chemical Structure, Dynamics and Mechanisms program to study the dynamics of radical intermediates relevant to the chemistry of the troposphere. Butler and her research group investigate the branching between product channels of unstable radical intermediates as a function of internal energy under collisionless conditions. Three classes of chemical systems are studied: 1) reactions of chlorine atoms with unsaturated organic compounds, 2) reactions of chlorine atoms with volatile organic compounds and 3) reactions of organic compounds involving NO2. Experiments employ 1) velocity map imaging with photoionization detection of radical intermediates and products and 2) product velocity and angular distribution measurements in molecular beam scattering apparatuses with either electron bombardment or tunable VUV ionization detection. The experiments are complemented by ab initio electronic structure calculations. The motivations for the research are threefold: contributing to fundamental understanding of an important class of chemical reactions, providing challenging tests for theoretical calculations, and developing predictive models for atmospheric chemistry. High school students, undergraduates, graduate students and postdoctoral associates are actively involved in carrying out this research.

芝加哥大学的劳里巴特勒得到了化学结构、动力学和机制项目的一个奖项的支持，以研究与对流层化学有关的自由基中间体的动力学。巴特勒和她的研究小组研究了在无碰撞条件下，不稳定自由基中间体的产物通道之间的分支作为内能的函数。研究了三类化学体系：1）氯原子与不饱和有机化合物的反应，2）氯原子与挥发性有机化合物的反应和3）涉及NO2的有机化合物的反应。 实验采用1）自由基中间体和产物的光电离检测的速度图成像和2）在分子束散射装置中的产物速度和角分布测量，所述分子束散射装置具有电子轰击或可调谐VUV电离检测。实验的补充从头计算电子结构计算。研究的动机有三个方面：有助于对一类重要的化学反应的基本理解，为理论计算提供具有挑战性的测试，以及开发大气化学的预测模型。 高中生、本科生、研究生和博士后同事都积极参与了这项研究。