化学反应过渡态的结构和动力学

化学反应过渡态决定了包括反应速率和微观反应动力学在内的化学反应的基本特性,而无论是从理论还是实验上研究和观测化学反应过渡态都是极具挑战性的课题.近年来,我国科学家们利用交叉分子束-里德堡氢原子飞行时间谱仪,结合高精度的量子动力学计算,对H＋H2和F＋H2这两个教科书式的典型反应体系进行了全量子态分辨的反应动力学研究,从中得出了关于这两个反应体系的过渡态的结构和动力学性质的结论性的研究成果.

Transition state structure and dynamics of chemical reaction

The concept of transition state has played a crucial role in the field of chemical kinetics and reaction dynamics. However, detecting and characterizing the transition states have been a major challenge in both experiment and theory. In recent years, two benchmark reaction systems, H ＋ H2 and F ＋ H2, have been studied on the full quantum state resolved level by using crossed molecular beams method with H-atom Rydberg tagging technique and high accuracy calculation of quantum dynamics. The strong interaction between theory and experiment has significantly enhanced our understanding of the dynamics of these reactions. Clear physical pictures for the reaction transition states and dynamics in these benchmark reactions have emerged, providing the textbook examples of dynamical resonances in elementary chemical reactions.