A set of semiclassical trajectory calculations were performed for the photodissociation of LiFH and NaFH. Calculations were performed with two different methods for nonadiabatic dynamics and in both the adiabatic and diabatic representations. It was found that the lifetime of the NaFH complex decreases with increasing excitation energy and is strongly dependent on the excitation energy. On the other hand, the lifetime of the LiFH complex was observed to be less dependent on the excitation energy. The LiFH system was also more reactive than the NaFH system at similar excitation energies.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry