Exterior electron model for Penning ionization. Unsaturated hydrocarbons

摘要: A simple theoretical model is described for Penning ionization (M+A*→M++A+e−) in which a metastable‐state rare gas atom (A*) extracts an electron from target molecule (M) and ejects another into continuum state. One of the most important factors governing distributions molecular orbitals are directly connected with electronic transition probabilities. Another key factor repulsive surface divides unreactive densities interior region reactive exterior region, because metastable A* cannot penetrate region. In present model, (EED) individual considered to be proportional branching ratios. Good agreements between ab initio MO calculations EED’s experimental ratios were obtained various unsaturated hydrocarbon molecules.