Electron ionization of exotic molecular targets CN, C2N2, HCN, HNC and BF—Theoretical cross sections

Total ionization cross sections Qion of the electron impact on exotic but lesser known targets CN, C2N2, HCN, HNC and BF have been calculated at incident energies Ei from ionization threshold (IE) to 2 keV, by employing the Complex potential ionization contribution (CSP-ic) method. Since most of the present results are new, comparable theoretical data are obtained by Additivity Rules and by generating the BEB (Binary Encounter Bethe) values through the Quantemol-N package. A good accord is found among the present and the other results, except in BF. Our ionization cross sections on HCN, HNC and BF are also compared with the available data on iso-electronic 14-electron systems N2, CO and C2H2. Moreover in e−–HCN scattering, the relative contributions of various allowed scattering channels are analyzed at the energy of the peak of ionization (70 eV) and presented here as a bar chart. The present work is relevant due to importance in mass spectrometry and in planetary environments.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (172 K)Download as PowerPoint slideHighlights► Hitherto unexplored molecular targets selected, such as CN, C2N2, HCN, HNC and BF. ► Electron–molecule interaction modeled by Complex Optical Potential. ► Schrödinger equation solved numerically to obtain total cross sections. ► Ionization cross sections Qion extracted from the above results. ► Applications of the present cross sections in mass spectrometry and in planetary environments.