2000 character limit reached
Dissociative electron attachment and vibrational excitation of $\mathbf{CF_3Cl}$: Effect of two vibrational modes revisited (1110.5729v1)
Published 26 Oct 2011 in physics.chem-ph
Abstract: 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.