Effect of Environment on Photo-detachment Dynamics of Halide Ions: A Model Approach

Abstract

A two dimensional model approach for the photodetachment dynamics of closed shell anionic systems in presence of external light field have been proposed in the context of polar environmental media. The effects of strong coupling between the solvent polarization and the extra charge in the system were studied by a simple model. The electronic states of concerned halide ions are represented by a two dimensional model Hamiltonian with a potential V(x, y) = −V0e−σ(x2 + y2). The time dependent Fourier grid Hamiltonian method have been used to follow the detachment process with fairly high intensities of light. The environmental effects on the dynamics are sought to be modeled by two different ways. The first one was the presence of polar solvents which perturb the energy levels of anionic systems by changing the effective potential surface and the second one was allowing the fluctuation of the well depth randomly to mimic the system in a more realistic view point. The average detachment rate constant is calculated as a function of important parameters of the used light field to explain the effects of solvent field on the dynamical behavior of dipole bound anionic system at least in a qualitative way.