Journal of Chemical Physics, Vol.116, No.4, 1380-1387, 2002
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-impact excitation cross sections are obtained for the 1 B-3(1u) (T) and I B-1(1u) (V) states arising from the pi-->pi* 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.