Electron-driven processes for perfluoronitriles

Abstract

We report the results of the study on electron-driven molecular processes for the perfluoronitriles, C₃F₅N and C₄F₇N for a wide energy range, from the ionisation potential to 5000 eV. These compounds have been shown to have extremely low global warming potential, suggesting they could be useful in gas discharges and plasma reactors. Calculations of ionisation cross sections (Q_ion) are made using the complex scattering potential-ionisation contribution (CSP-ic) method and are shown to be in good agreement with the available data. Elastic (Q_el), inelastic (Q_inel) and total (Q_T) cross sections are computed through spherical complex optical potential formalism. We have recently developed two-parameter semi-empirical method (2p-SEM) for large molecules with 55 < Z < 95 to report Q_el and Q_T. This work is a maiden report of Q_el and Q_T for C₃F₅N and C₄F₇N. We present various correlation studies between the cross sections and target parameters, leading to a prediction of polarizability. We have derived dielectric constant using number density and molar mass and have correlated Q_ion (max) with dielectric constant.

Graphical abstract