Scattering of e± by C2H6 Molecule over a Wide Range of Energy: A Theoretical Investigation

Molecules. 2023 Jan 27;28(3):1255. doi: 10.3390/molecules28031255.

Abstract

The present work reports the theoretical investigation of the scattering of electrons and positrons by the ethane (C2H6) molecule over the energy range 1 eV-1 MeV. The investigation was carried out by taking into account the screening correction arising from a semiclassical analysis of the atomic geometrical overlapping of the scattering observables calculated in the independent atom approximation. The study is presented through the calculations of a broad spectrum of observable quantities, namely differential, integrated elastic, momentum transfer, viscosity, inelastic, grand total, and total ionization cross-sections and the Sherman functions. A comparative study was carried out between scattering observables for electron impact with those for positron impact to exhibit the similarity and dissimilarity arising out of the difference of the collisions of impinging projectiles with the target. Partial-wave decomposition of the scattering states within the Dirac relativistic framework employing a free-atom complex optical model potential was used to calculate the corresponding observable quantities of the constituent atoms. The results, calculated using our recipe, were compared with the experimental and theoretical works available in the literature. The Sherman function for a e±-C2H6 scattering system is presented for the first time in the literature. The addition of the screening correction to the independent atom approximation method was found to substantially reduce the scattering cross-sections, particularly at forward angles for lower incident energies.

Keywords: C2H6; electron and positron scattering; independent atom model; molecular scattering; screening correction.