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

作     者：Bikram Nath Chandan Kumar Mondal Bikram Nath;Chandan Kumar Mondal

作者机构：萨哈核物理研究所晶体学和分了生物学司加尔各答700064 贾德普大学物理化学部化学系加尔各答700032 

出 版 物：《Chinese Journal of Chemical Physics》 (化学物理学报（英文）)

年 卷 期：2010年第23卷第1期

页      面：30-38,I0001页

核心收录：

学科分类：08[工学] 080203[工学-机械设计及理论] 0802[工学-机械工程] 080101[工学-一般力学与力学基础] 0801[工学-力学（可授工学、理学学位）] 

主　　题：Photodetachment dynamics Environmental effect Time-dependent Fourier grid Hamiltonian Stochastic deactivation 

摘      要：A two dimensional model approach for the photodetachment dynamics of closed shell an-ionic 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 con-cerned halide ions are represented by a two dimensional model Hamiltonian with a potential V（x,y）=-V0e^-σ（x^2＋y^2）. 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.