Low energy cross sections for electron scattering from tetrafluoroallene

Abstract

We report elastic, total, excitation, differential and momentum-transfer cross sections for scattering of low-energy electrons by tetrafluoroallene (C3F4) using the close-coupling (CC) approximation in the R-matrix method with Quantemol-N. We have tested various target models initially to check for the convergence of the result and the final results are provided with the best target model. We have detected shape resonances of symmetry 2 E(2B1,2B2) at 3.08 eV and 3.71 eV with a close-coupling and static exchange models which is seen as a sharp feature in the elastic and momentum transfer cross sections. We also detected other resonances of symmetry 2 E at 11.26 eV and of symmetry 2A2 at 11.12 eV below the ionization threshold of the target respectively. The present elastic and total cross sections are compared with the elastic and total cross sections of allene (C3H4), propene (C3H6) and hexafluoropropene (C3F6) as there were no results available for C3F4. The effect of fluorination is clearly seen with the shape resonance for C3F4 getting slightly shifted to higher energies compared to allene. Finally, we also report the ionization cross section calculated using the Binary-Encounter Bethe (BEB) method. The present calculation is a maiden attempt to find cross sections for C3F4 molecule which could be useful for fluorocarbon plasma modeling.