Nonadiabatic tunneling dynamics in the vicinity of the multi-dimensional conical intersection

Abstract

Conical intersections on the reaction pathway are pivotal in determining the reaction rate, yield, and energy disposal of the products via nonadiabatic transition. We have discussed the nonadiabatic dynamics on the conical intersection, especially the photodissociation dynamics through nonadiabatic tunneling in the excited state of heteroaromatic molecules in terms of the topography of multi-dimensional potential energy surfaces. The dynamic role of the topography of potential energy surfaces in the tunneling reaction have been revealed, and this provides a deep understanding of structure-reactivity relationship and a new perspective on the reaction control.