Exterior electron model for Penning ionization. Unsaturated hydrocarbons

Journal Article · Thu Nov 15 04:00:00 EST 1984 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.447412· OSTI ID:6106820

Ohno, K; Matsumoto, S; Harada, Y

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

• Research Organization: Department of Chemistry, College of Arts and Sciences, The University of Tokyo, Komaba, Meguro, Tokyo 153, Japan
• OSTI ID: 6106820
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 81:10; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
GASES
HYDROCARBONS
IONIZATION
METASTABLE STATES
MOLECULE COLLISIONS
NONMETALS
ORGANIC COMPOUNDS
PENNING EFFECT
RARE GASES