Polycyclic Aromatic Hydrocarbons: Photoionization Efficiencies vs. HOMO-LUMO Gaps

Abstract

Polycyclic aromatic hydrocarbons (PAH’s) are relevant in many fields. Johansson and coworkers measured the photoionization-efficiency (PIE) curves for various PAH’s. PIE curves can be used to determine photoionization cross-section curves of compounds, which are useful for identification purposes. Photoionization cross-section curves were determined for the PAH’s pyrene, fluoranthene, chrysene, perylene, and coronene. Our study involves determining HOMO-LUMO gaps of PAH’s, and comparing them with the corresponding photoionization cross-section curves.