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

Article

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

Tarana, M.; Houfek, K.; Horáček, J.; Fabrikant, I. I.

Phys. Rev. A 84(5), 052717 (2011)

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.

Institute authors

Supported by

GACR 208/10/1281 — Vibrational and dissociation dynamics of molecular systems in electronic continuum
MSM0021620860 — Fyzikální studium objektů a procesů ve sluneční soustavě a v astro-fyzikálních systémech

BibTeX

@article{UTF445,
  author        = {Tarana, M. and Houfek, K. and Horáček, J. and Fabrikant, I. I.},
  title         = {{Dissociative electron attachment and vibrational excitation of CF3Cl: Effect of two vibrational modes revisited}},
  journal       = {Phys. Rev. A},
  volume        = {84},
  number        = {5},
  pages         = {052717},
  year          = {2011},
  doi           = {10.1103/PhysRevA.84.052717},
  url           = {http://pra.aps.org/abstract/PRA/v84/i5/e052717},
}