ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The photodissociation of HCl/MgO (001) is studied by classical molecular dynamics of a single adsorbate system including the substrate phonon modes. An important quantum effect is accounted for by taking the hydrogen coordinates and momenta in the initial state from a vibrational ground state wave function. In the angular distribution of the scattered photofragments characteristic structures due to rainbows, scattering shadow and resonances are found, that are already well described within the rigid surface approximation. The hydrogen kinetic energy release also shows a pronounced peak structure corresponding to different energy transfer mechanisms and is significantly affected by inclusion of energy transfer to the phonon modes. Due to multiple collisions with the surface and the chlorine, the hydrogen can lose more than 3.5 eV of its 4.7 eV excess energy. The angular resolved energy spectrum is explained by several types of trajectories connected with the above mechanisms. The results suggest further that the different mechanisms can be separated in an experiment. © 1995 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.469438
