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

Document Type

Article

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.