Investigating Radical Intermediates of Bimolecular Addition Reactions

在这个由化学系实验物理化学项目资助的奖项中，芝加哥大学的劳里·巴特勒教授与她的博士后研究员、研究生和本科生一起研究了基本化学反应的产物是如何受到短寿命自由基中间体的能量学和动力学控制的。具体的反应体系包括(1)羟基自由基与丙二烯的反应，(2)β-键与自由基中心的反应中的立体电子择优反应，以及(3)含硫物种的反应。这些结果是化学家们基本感兴趣的，许多要研究的反应类别在燃烧和大气化学中都是重要的。这些实验的结果也将成为新兴理论方法的基准。分子在反应过程中几何结构或能量的微小变化会对决定化学反应的结果产生深远的影响。巴特勒教授和她的研究小组致力于研究化学中间体--反应物和产物之间的短暂化学物种--的这些影响。这些实验的结果也将成为新兴理论方法的基准。

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.