Investigating Radical Intermediates of Bimolecular Addition Reactions

研究双分子加成反应的自由基中间体

• 批准号: 0746050
• 负责人: Laurie Butler
• 金额: $ 65.6万
• 依托单位: University of Chicago
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-03-01 至 2012-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0746050&HistoricalAwards=false
• 关键词: Investigating; Radical; Intermediates; Bimolecular; Addition

In this award, funded by the Experimental Physical Chemistry Program of the Division of Chemistry, Professor Laurie Butler of the University of Chicago, together with her post-doctoral fellows, graduate, and undergraduate students, investigate how the products of elementary chemical reactions are controlled by the energetics and dynamics of short-lived radical intermediates. Specific reaction systems to be studied include (1) the reaction of hydroxyl radical with allene, (2) the stereoelectronic preference in reactions involving bond fission beta to a radical center and (3) the reactions of sulfur containing species. The results are of fundamental interest to chemists and many of the classes of reactions to be studied are important in combustion and in atmospheric chemistry. The results from these experiments will also serve to benchmark emerging theoretical methods. Minute changes in the geometry or in the energy of molecules as they react can have profound effects in determining the outcome of a chemical reaction. Prof. Butler and her research group are engaged in studying these effects in chemical intermediates -- the transitory chemical species midway between reactants and products. The results from these experiments will also serve to benchmark emerging theoretical methods.

该奖项由化学学部实验物理化学项目资助，芝加哥大学的劳里·巴特勒教授和她的博士后研究员、研究生和本科生一起，研究了短寿命自由基中间体的能量学和动力学如何控制基本化学反应的产物。要研究的具体反应体系包括(1)羟基自由基与烯的反应，(2)键裂变β到自由基中心的反应中的立体电子偏好，(3)含硫物质的反应。这些结果引起化学家的基本兴趣，而且许多待研究的反应类别在燃烧和大气化学中都很重要。这些实验的结果也将为新兴的理论方法提供基准。分子在反应过程中几何形状或能量的微小变化对决定化学反应的结果具有深远的影响。巴特勒教授和她的研究小组正致力于研究化学中间体——介于反应物和产物之间的短暂化学物质——的这些作用。这些实验的结果也将为新兴的理论方法提供基准。