Calculation of absolute electron-impact ionization cross-sections of dimers and trimers

Abstract:

We report calculations of the electron-impact ionization cross-sections of selected dimers (homonuclear diatomic molecules) and trimers (homonuclear triatomic molecules) using a method which relies only on macroscopic quantities in conjunction with a “defect concept”. The empirically determined defect describes the deviation of the cluster (dimer, trimer) cross-sections from a simple linear dependence on the cluster size. We compare the calculated cross-sections to experimental data for the dimers S₂ and F₂ and the trimer O₃ and we present predictions for the ionization cross-sections of Br₂, I₂, C₂ and C₃ for which no experimental data are available. Lastly, we extend the method to the calculation of ionization cross-sections for the fullerenes C₆₀ and C₇₀.