Theoretical investigation of electron impact on formyl fluoride (HFCO)

Abstract

In this paper, a descriptive and detailed theoretical analysis is carried out on electron scattering of formyl fluoride (HFCO) covering a wide impact energy range of 0.1 eV–5000 eV. Due to such a wide impact energy range, we were able to calculate the variety of interaction processes such as eigen phase study to infer about the resonances, vertical electron excitations, differential cross-sections, momentum transfer cross-sections, ionization cross-sections and total scattering cross-sections for electron impact on formyl fluoride. To compute these cross-sections for this energy range, we have used an amalgamation of two theoretical methodologies namely R-matrix via. Quantemol-N, valid for the low energy calculations from 0.1 eV to 20 eV and the Spherical Complex Optical Potential (SCOP) applicable from ionization threshold of the target to 5000 eV. There is a smooth cross over of total cross-sections observed between these two methods at the incident energy just below 20 eV. The present study becomes more important as it presents the electron impact cross-sections on HFCO for the first time and thus provides a reference data set for HFCO over an extensive impact energy range. The data set is important as Hydrofluorocarbons (HFCs) are one class of potential chlorofluorocarbons (CFC) substituents which mainly reacts with the OH radical in the atmosphere leading to the formation of the dominant intermediate product HFCO.