Effects of two vibrational modes in the dissociative electron attachment to CF{sub 3}Cl
- Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holesovickach 2, 18000 Prague (Czech Republic)
- Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland)
- 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, Vol. 79, Issue 5; Other Information: DOI: 10.1103/PhysRevA.79.052712; (c) 2009 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
- Country of Publication:
- United States
- Language:
- English
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