手性金属卟啉催化的C-H键活化/Cope重排组合反应可以一步构建两个立体中心。金属卡宾的直接C-H键插入反应和C-H键活化/Cope重排组合反应是两个竞争反应。控制这两类竞争反应的因素以及化学选择性和立体选择性的来源尚不清楚。分叉势能面有可能在控制化学选择性方面起到了至关重要的作用。我们将采用密度泛函方法、动力学模拟和实验研究这一仿生催化体系，深入理解动态学控制的竞争分叉反应机理。计算和实验的结合将有助于提高金属卟啉催化的反应的活性和选择性。

The combined C-H activation/Cope rearrangement reactions catalyzed by chiral metalloporphyrin can produce two chiral centers in one-step. The direct carbene insertion to C-H bonds and combined C-H activation/Cope rearrangement reaction are two competing reactions. The controlling factors of the two competing reactions and the origin of the chemoselectivity and stereoselectivity are not clear. The potential energy surface bifurcation might play an important role in controlling the chemoselectivity. We will perform DFT calculations, molecular dynamic simulations and experiments to study this biomimetic catalysis and understand the mechanism of dynamic-controlled potential energy surface bifurcating reactions. Computational-experimental synergy will facilitate the improvement of both reactivities and selectivities in metalloporphyrin-catalyzed reactions.