Dissociative electron attachment and vibrational excitation of CF3Cl: Effect of two vibrational modes revisited
2011
Abstrakt
A study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF3Cl molecule is presented. 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.