Collision Dynamics of Free Radical Chemical Reactions

利用分子束散射和激光荧光检测技术研究了小自由基反应的碰撞动力学。在两个开壳物质之间的反应中，在反应物和生成物通道中都会出现几个势能面。特别令人感兴趣的是这些多重反应路径对产物内部状态分布的影响，特别是开壳层产物精细结构状态之间的分配。我们将重点研究典型的O + NH反应，该反应有两种可能的化学途径，即OH + N和H + NO产物的形成。此外，对于亚稳Ba和其他金属原子的反应，将进一步研究初始自旋轨道能级对化学反应活性的影响。这项工作为开壳体系的反应动力学提供了重要的见解。由于实验上的困难，这类反应在反应动力学领域基本上是未被探索的。这种不稳定的自由基可能出现在火焰、放电和大气过程中。在Dagdigian博士的研究项目中获得的信息可以对理解这些系统产生影响，在某些情况下还可以控制化学反应。

The collision dynamics of reactions of small free radicals will be investigated by molecular beam scattering and laser fluorescence detection techniques. In reactions between two open-shell species, several potential energy surfaces arise in both the reactant and product channels. Of particular interest will be the effect these multiple reaction paths have on the product internal state distribution, especially the partitioning among fine-structure states of open-shell products. Special emphasis will be placed on the study of the prototypical O + NH reaction, for which two possible chemical pathways are available, namely the formation of OH + N and H + NO products. In addition, further investigation of the effect of initial spin-orbit level on chemical reactivity will be carried out for reactions of metastable Ba and other metal atoms. This work provides important insights into the reaction dynamics of open shell systems. Such reactions are essentially unexplored in the field of reaction dynamics because of experimental difficulties. Such unstable radicals may occur in flames, electrical discharges, and atmospheric processes. Information to be obtained in Dr. Dagdigian's research program can have an impact on understanding such systems and in some cases controlling chemical reactions.