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

Document Type

Article

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.