Dissociative electron attachment and vibrational excitation of $\mathbf{CF_3Cl}$: Effect of two vibrational modes revisited

Details Dissociative electron attachment and vibrational excitation of $\mathbf{CF_3Cl}$: Effect of two vibrational modes revisited Dissociative electron attachment and vibrational excitation of $\mathbf{CF_3Cl}$: Effect of two vibrational modes revisited

2011-10-26

arxiv.org/abs/1110.5729v1

Phys. Rev. A 84, 052717 (2011)

Physics

Chemical Physics

24 pages, 7 figures, submitted to Physical Review A

Scientific paper

10.1103/PhysRevA.84.052717

We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF$_3$Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric stretch coordinate and the CF$_3$ 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 while the cross section for excitation of the C-Cl symmetric stretch vibrations is about a factor of three low as compared to experimental data.

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