Investigation of Electron Collisions with Organic Phosphates

Organic phosphates are a class of compounds containing the (P═O) group, which hold substantial importance in environmental, chemical, and biological research. Studying electron scattering from organophosphates will deepen our understanding of how ionizing radiation affects living tissues, particularly the damage to DNA components through complex bond breakages. This theoretical work examines the electron scattering cross sections for monomethyl phosphate, dimethyl phosphate, trimethyl phosphate, monoethyl phosphate, diethyl phosphate, and triethyl phosphate molecules within the fixed-nuclei approximation. These targets were chosen primarily for their importance and also for being the smallest organophosphates in molecular weight. The study also helps to understand the effects of isomerism and target electron count on cross sections. Previous studies on electron collisions with these molecules are incomplete, which motivated us to perform these calculations. In the present study, we computed electron impact total, elastic, inelastic, momentum transfer, ionization, and differential elastic cross sections using the optical potential approach in the energy range from the ionization potential to 5000 eV. The results are then compared with the previously available experimental and theoretical results. The cross sections presented in this study will help model radiation damage and understand the chemistry of organophosphates.