Effects of two vibrational modes in the dissociative electron attachment to CF{sub 3}Cl

Journal Article · Fri May 15 04:00:00 EDT 2009 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.79.052712· OSTI ID:21304697

Tarana, Michal ^[1]; Wielgus, Pawel; Roszak, Szczepan ^[2]; Fabrikant, Ilya I ^[3]

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1. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holesovickach 2, 18000 Prague (Czech Republic)
2. Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland)
3. Department of Physics and Astronomy, University of Nebraska, 510 Stadium Drive, Lincoln, Nebraska 68588 (United States)

We present a study of multimode effects in dissociative electron attachment to CF{sub 3}Cl molecules using a time-independent version of the local complex potential theory. Symmetric stretch C-Cl vibrations {nu}{sub 3} and symmetric deformation (or so-called umbrella) vibrations {nu}{sub 2} are included. The neutral and anion potential energy surfaces are calculated using the second-order Moeller-Plesset perturbation theory with an empirical adjustment of the vertical attachment energy. The final-state vibrational distribution in the CF{sub 3}({nu}{sub 2}) fragment is dominated by the {nu}{sub 2}=2 state. We also find an increase in the total cross section as compared with the one-dimensional calculations. This is explained by an increase in the anion survival probability.

• OSTI ID: 21304697
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 5 Vol. 79; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ANIONS
ELECTRON ATTACHMENT
ELECTRON-MOLECULE COLLISIONS
MOLECULAR STRUCTURE
MOLECULES
ONE-DIMENSIONAL CALCULATIONS
ORGANIC COMPOUNDS
PERTURBATION THEORY
POTENTIAL ENERGY
POTENTIALS
SYMMETRY
TOTAL CROSS SECTIONS
VIBRATIONAL STATES