Communications Chemistry (Apr 2021)
Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
Abstract
Interpreting ultrafast non-adiabatic vibronic processes of complex systems such as the excited benzene cation remains highly challenging. Here, a computational model is reported, where non-adiabatic events are seen far from a conical intersection and are controlled by electron dynamics involving a superposition of non-adjacent adiabatic states.