Electron interactions with C2H6O2 isomers

Abstract

In this work, a theoretical investigation on the electron interactions with the C2H6O2 isomers ethylene glycol (ETG) and dimethyl peroxide (DMP) is presented. Differential cross sections (DCS), integral cross sections (ICS), and momentum transfer cross sections (MTCS) for elastic scattering as well as total cross sections (TCS) and total absorption cross sections were determined in the 1–500 eV range. To describe the electron–target interaction and solve the scattering equations, a molecular complex optical potential (MCOP) approach combined with the Padé approximant technique was employed. Regarding ICS results, the resonance found at around 10 eV in previous investigations for electron scattering with ethanol and dimethyl ether was also detected for both molecules studied in this work. Interestingly, DMP exhibited an additional resonance feature at around 5 eV. This resonance (that can also be observed in the MTCS and TCS results for DMP) was assigned to the O−O single bond, having σ∗ character and being related to the Bu scattering symmetry. This work is presented to encourage other investigations involving ETG and DMP.