Dissociative electron attachment and vibrational excitation of CF{sub 3}Cl: Effect of two vibrational modes revisited

Journal Article · Tue Nov 15 04:00:00 EST 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.84.052717· OSTI ID:22093536

Tarana, Michal ^[1]; Houfek, Karel; Horacek, Jiri ^[2]; Fabrikant, Ilya I. ^[1]

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1. Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588 (United States)
2. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holesovickach 2, Prague (Czech Republic)

We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF{sub 3}Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric stretch coordinate and the CF{sub 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 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.

• OSTI ID: 22093536
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 5 Vol. 84; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CARBON FLUORIDES
COMPARATIVE EVALUATIONS
COORDINATES
CROSS SECTIONS
ELECTRON ATTACHMENT
ELECTRON-MOLECULE COLLISIONS
EXCITATION
MOLECULES
ORGANIC CHLORINE COMPOUNDS
POTENTIAL ENERGY
R MATRIX
SYMMETRY
TWO-DIMENSIONAL CALCULATIONS
VIBRATIONAL STATES