Abstract
A theoretical model is presented to examine recently reported steric effects in electron-adsorbate interactions. The model is based on a short-lived anionic excited state formed by vertical photoelectron transition. An initial wave packet propagates on the excited-state potential and is quenched back to the ground state after a short residence time. The acquired momentum is the origin for desorption and dissociation. It is shown by quantum time-dependent modeling of the process that the orientation of the molecule has a profound effect on the kinematics of the photodesorption. The Br-up configuration is calculated to have a much larger desorption cross section. It is predicted that the adsorbed molecule tilt angle with respect to the surface normal is larger for the Br-up configuration.
| Original language | English |
|---|---|
| Pages (from-to) | 14056-14061 |
| Number of pages | 6 |
| Journal | Journal of Physical Chemistry B |
| Volume | 108 |
| Issue number | 37 |
| DOIs | |
| State | Published - 16 Sep 2004 |