Calculation of electron-impact ionization of various benzene derivatives.

Calculations of the electron-impact ionization cross-section of pyrene, anthracene, benzoyl chloride, benzophenone, and phthalonitrile are reported over a wide energy range. A comparison of theoretical models, viz. spherical complex optical potential (SCOP), pixel counting method (PCM), and the binary encounter bethe (BEB) model is carried out. SCOP calculations provide the inelastic cross-section, and ionization cross-section is extracted from it. This result is modified with PCM, a model previously applied to ion collisions which takes geometric screening corrections into account. The BEB model is used as an independent approach to calculate the ionization cross-section. It is demonstrated that all model results are in reasonable agreement with each other. Comparison is also made with other theoretical data where available.