Article ID Journal Published Year Pages File Type
9577941 Chemical Physics Letters 2005 8 Pages PDF
Abstract
This work is a two-dimensional study of the photodissociation of a HCl molecule adsorbed on a proton ordered hexagonal ice surface. We apply the multi-configuration time-dependent Hartree method to study the dynamics of the hydrogen photofragment. The calculated absorption spectrum exhibits structures which are related to a temporary trapping of the hydrogen between the Cl atom and the ice surface. The angular distribution of the emitted hydrogen shows structures which are attributed to a surface rainbow effect. Moreover the results indicate that the photodissociation of HCl can lead to a diffusion of the hydrogen fragment into an ice cavity.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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