Gas Phase Studies of Reactive Intermediates

这一启动补助金授予俄亥俄州州立大学将支持 Christopher M教授的研究。哈达德 研究的主题是 气相研究活性中间体的综合方法， 用理论做实验。 气体中自由基的基本反应 阶段将研究使用可变温度流动 馀辉中性流反应器 混合动力系统可以产生 通过快速真空热解方法， 中性试剂的化学反应。 实验信息是 辅以计算研究--从头算分子轨道 计算提供洞察过渡态结构和 可能的机械替代品。 这一研究将促进对自由基的基本认识 与燃烧和大气化学有关的反应。 等 知识对于有效利用燃料资源和 维护环境。

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.