Dissociative electron attachment and vibrational excitation of CF3Cl: Effect of two vibrational modes revisited

Authors

Michal Tarana, Charles University in Prague
Karel Houfek, Charles University in PragueFollow
Jiri Horacek, Charles University in PragueFollow
Ilya I. Fabrikant, University of Nebraska-LincolnFollow

Date of this Version

2011

Citation

PHYSICAL REVIEW A 84, 052717 (2011); doi 10.1103/PhysRevA.84.052717

Comments

Copyright 2011 American Physical Society

Abstract

We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF₃Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric stretch coordinate and the CF₃ symmetric deformation (umbrella) coordinate. The complex potential energy surfaces are calculated using the ab initio R-matrix method. The results for dissociative attachment and vibrational excitation of the umbrella mode agree quite well with experiment whereas the cross section for excitation of the C-Cl symmetric stretch vibrations is about a factor-of-three too low in comparison with experimental data.