Reaction Dynamics of Small Cyclic Hydrocarbons

这项来自有机动力学项目的拨款支持了科尔盖特大学大卫·刘易斯教授的研究。本研究结果将对小环烃热反应机理提供新的认识。激波管方法将允许达到较高的反应温度（1100k），而不会在反应器壁上发生复杂的反应。新的复杂的光谱方法将用于检测这些反应中的中间体，并从这种分析中了解反应的机理。用激波管和静态反应器技术研究了小环烃的异构化和裂解反应。这些反应的机理细节将用最先进的光谱技术来研究，即高分辨率红外吸收光谱、可调谐二极管激光方法和振动圆二色性。复杂的氘和碳13标记实验将被用来确定反应的过程。从这些实验中，将有可能确定这些反应是否以协调或逐步的方式进行，以及是否遵循轨道对称规则。

This grant from the Organic Dynamics Program supports the research of Professor David Lewis at Colgate University. The results of this research will provide new understanding to the mechanism of the thermal reactions of small-ring hydrocarbons. The shock tube method will allow high reaction temperatures to be reached (1100 K) without the complication of reaction on the reactor wall. New and sophisticated spectroscopic methods will be used to detect intermediates in these reactions, and from this analysis an insight to the mechanism of the reaction can be reached. The isomerization and fragmentation reactions of small-ring hydrocarbons will be studied by shock tube and static reactor techniques. Mechanistic details of these reactions will be probed with state of the art spectroscopic techniques, namely, high resolution IR absorption spectroscopy, tunable diode laser methods, and vibrational circular dichroism. Sophisticated deuterium and carbon-13 labeling experiments will be employed to determine the course of reaction. From these experiments it will be possible to determine if these reactions proceed in a concerted or stepwise manner, and if orbital symmetry rules are obeyed.