Effects of two vibrational modes in the dissociative electron attachment to CF3Cl

Authors

Michal Tarana, Charles University in Prague
Pawel Wielgus, Wroclaw University of Technology
Szczepan Roszak, Wroclaw University of Technology
Ilya I. Fabrikant, University of Nebraska-LincolnFollow

Date of this Version

2009

Comments

Published in PHYSICAL REVIEW A 79, 2009. Copyright © 2009 The American Physical Society. Used by permission.

Abstract

We present a study of multimode effects in dissociative electron attachment to CF₃Cl molecules using a time-independent version of the local complex potential theory. Symmetric stretch C-Cl vibrations v₃ and symmetric deformation (or so-called umbrella) vibrations v₂ are included. The neutral and anion potential energy surfaces are calculated using the second-order Møller-Plesset perturbation theory with an empirical adjustment of the vertical attachment energy. The final-state vibrational distribution in the CF₃(v₂) fragment is dominated by the v₂=2 state. We also find an increase in the total cross section as compared with the one-dimensional calculations. This is explained by an increase in the anion survival probability.