Low-energy electron collisions with tetrafluoroethene, C2F4

We report calculated cross sections for elastic and inelastic collisions of low-energy electrons with tetrafluoroethene, C2F4. The elastic cross section shows a number of resonance features, which we classify according to symmetry and analyze in relation to available experimental data. Electron-impa...

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Veröffentlicht in:The Journal of chemical physics 2002-01, Vol.116 (4), p.1380-1387
Hauptverfasser: Winstead, C., McKoy, V.
Format: Artikel
Sprache:eng
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Zusammenfassung:We report calculated cross sections for elastic and inelastic collisions of low-energy electrons with tetrafluoroethene, C2F4. The elastic cross section shows a number of resonance features, which we classify according to symmetry and analyze in relation to available experimental data. Electron-impact excitation cross sections are obtained for the 1 3B1u (T) and 1 1B1u (V) states arising from the π→π* transition, as well as for eight other low-lying excited states arising from excitations out of the highest occupied molecular orbital. As expected, the T and V states make the largest individual contributions to electron-impact excitation at low energies; however, the other states are shown to contribute significantly to the total excitation cross section at impact energies from 10 to 25 eV.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1429649