Thermochemistry and Kinetics of Polyatomic Free Radicals

这个项目是实验物理化学计划的一部分，是在气相化学动力学领域。它包括研究多原子自由基与含有卤素的双原子分子，如HI、Hbr和I2的反应。这些反应将使用与光电离质谱计耦合的加热管状石英反应堆进行研究。准分子激光光解将被用来产生多原子自由基。这项研究将为重要的元素反应的动力学提供新的知识，并提供所研究的自由基的热力学性质的更准确的测定，如生成热。这些信息将对燃烧过程的建模、反应物种的热化学性质的可靠预测以及确定合理的反应机理非常有意义，在这些反应机理中，竞争反应路径上的势能知识是必不可少的。

This project, part of the Experimental Physical Chemistry Program, is in the area of gas phase chemical kinetics. It involves the study of the reactions of polyatomic free radicals with halogen containing diatomic molecules, such as HI, HBr, and I2. The reactions will be studied using a heated tubular quartz reactor coupled to a photoionization mass spectrometer. Excimer laser photolysis will be employed to produce the polyatomic free radicals. This research will provide new knowledge of the dynamics of important elementary reactions and provide more accurate determinations of the thermodynamic properties, such as enthalpies of formation, of the free radicals studied. This information will be of great interest for the modeling of combustion processes, for the reliable prediction of the thermochemical properties of reactive species, and for determining plausible reaction mechanisms where knowledge of the potential energy along competing reaction paths is essential.