A modified additivity rule for the calculation of electron impact ionization cross-section of molecules ABn

H. Deutsch, K. Becker, T. D. Märk

Research output: Contribution to journalArticle

Abstract

This paper describes a modified additivity rule for the calculation of electron impact ionization cross-sections of molecules and radicals of the form ABn(n = 1-6). This additivity rule incorporates weighting factors for the contributions to the molecular ionization cross-sections from the ionization cross-sections of the constituent atoms, which depend explicitly on the atomic radii and the effective number of atomic electrons. In a few special cases (hydrides where the other constituent atom has a radius smaller than the radius of the H atom and species where both constituent atoms have radii smaller than the radius of the H atom), the weighting factors can be simplified, so that they depend only on the atomic radii, i.e. on geometric effects. A comprehensive comparison of the predictions of this new modified additivity rule with available experimental data and with other theoretical predictions is presented.

Original languageEnglish (US)
Pages (from-to)503-517
Number of pages15
JournalInternational Journal of Mass Spectrometry and Ion Processes
Volume167-168
DOIs
StatePublished - 1997

Keywords

  • Additivity rule
  • Cross sections
  • Electron ionization
  • Molecules

ASJC Scopus subject areas

  • Spectroscopy

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