The geometries of reactants, intermediates, transition states, and products are optimized, and the topological properties of electron density of the chemical bonds are analysed.

• 优化得到了反应途径中各驻点的几何构型，并采用内禀反应坐标法进行追踪。从量子拓扑学的角度，讨论了在反应过程中各化学键的变化。