报告题目：态－态动力学过渡态控制的量子表现（Quantum manifestation of transition-state control of state-to-state dynamics）
报 告 人：Dr. Hua Guo （美国新墨西哥大学）
报告时间：2016年6月14日（周二）上午10:00
报告地点：校本部E106
邀 请 人：李永乐
报告简介：
The concept of transition state is a fundamental one as the activated complex plays a dominant role in kinetics. We demonstrate that the transition state also controls reaction dynamics, even at the state-to-state level. It is shown that there are two kinds of reactant modes. An active mode is strongly coupled with the reaction coordinate at the transition state, thus promoting the reaction by channeling energy into the reaction mode. As a result, its excitation has little effect on the product state distribution. The other kind of modes has very little coupling with the reaction coordinate at the transition state, hence behaving as a spectator throughout the reaction. The energy deposited in a spectator mode is sequestered during the reaction and transferred into the vibration of the product. These detailed quantum state-resolved information sheds light on the transition state control of reactivity.
References:
1: B. Zhao and H. Guo, J. Am. Chem. Soc., 137 15964 (2015), State-to-state mode specificity: Energy sequestration and flow gated by transition state.
2: H. Guo and B. Jiang, Acc. Chem. Res., 47, 3679 (2014), The sudden vector projection model for reactivity: Mode specificity and bond selectivity made simple.
