Gas Phase Studies of Reactive Intermediates

这项授予俄亥俄州立大学的初学者奖金将支持克里斯托弗·M·哈达德教授的研究。本研究的主题是采用实验与理论相结合的方法对活性中间体进行气相研究。利用变温流动余辉-中性流动反应器研究气相中自由基的基本反应。该混合体系允许通过闪光真空热解方法产生自由基，然后用中性试剂检查化学。实验信息得到了计算研究的补充--从头算分子轨道计算，以提供对过渡态结构和可能的机理替代的洞察。这项研究将促进人们对与燃烧和大气化学有关的自由基反应的基本理解。这些知识对于有效利用燃料资源和维护环境十分重要。

This starter grant award to Ohio State University will support the research of Professor Christopher M. Hadad. The theme of the research is gas phase studies of reactive intermediates by a combined approach of experiment with theory. The fundamental reactions of radicals in the gas phase will be studied using a variable temperate flowing afterglow-neutral flow reactor. The hybrid system allows the generation of radicals via flash vacuum pyrolytic methods followed by examination of the chemistry with neutral reagents. The experimental information is supplemented by computational studies -- ab initio molecular orbital calculations to provide insight into transition state structures and possible mechanistic alternatives. This research will advance the fundamental understanding of radical reactions relevant to combustion and atmospheric chemistry. Such knowledge is important to the efficient use of fuel resources and for maintaining the environment.