Electron-scattering studies of carbonyl fluoride

Abstract

The present article reports calculations of total, momentum transfer, differential, excitation, and ionization cross sections for electron scattering from the carbonyl fluoride (${\mathrm{F}}_{2}\mathrm{CO}$) molecule. Total cross sections (TCSs) are presented over an extensive energy range from 0.5 to 5000 eV. The ab initio R-matrix and spherical complex optical potential methods were used to perform low-energy computations and intermediate- to high-energy calculations, respectively. The TCSs computed through these two formalisms are in good agreement in the 24--26 eV energy range. The consistency of the data in this overlapping region has allowed us to predict total cross sections over an extensive energy range. Electronic excitation, momentum transfer, and differential cross sections were also calculated using the $R$-matrix method at low incident energies. In the present study, a low-energy resonance at 3.67 eV was detected with a $^{2}B_{1}$ symmetry, indicating the probability of anion formation by the dissociative electron attachment process and further decay to neutral and negative ion fragments. The total ionization cross section for ${\mathrm{F}}_{2}\mathrm{CO}$ was also evaluated using the complex scattering potential--ionization contribution method and the binary encounter Bethe method up to 5 keV.