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

TL;DR

This study investigates electron collision processes with CF3Cl, focusing on dissociative attachment and vibrational excitation, using advanced two-dimensional nuclear dynamics calculations based on ab initio potential energy surfaces.

Contribution

It revisits vibrational mode effects in electron collisions with CF3Cl using a two-dimensional approach and ab initio calculations, providing improved theoretical insights.

Findings

Agreement with experimental data for dissociative attachment and umbrella mode excitation.

Underestimation of C-Cl stretch excitation cross section by a factor of three.

Enhanced understanding of vibrational mode effects in electron-molecule interactions.

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.