Photodissociation and recombination of solvated I_2~-: What causes the transient absorption peak?

摘要

Using nonadiabatic molecular dynamics simulations, we present evidence that the 2 ps peak in the pump-probe spectrum of I_2~- dissociated inside CO_2 clusters is due to transitions from the ground state to the spin-orbit excited states, rather than toe excited-state absorption as previously assigned.