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Ion appearance energies at electron-impact dissociative ionization of sulfur hexafluoride molecule and its fragments

  • Shandor Sh. DemeshEmail author
  • Eugene Yu. Remeta
Regular Article
Part of the following topical collections:
  1. Topical Issue: Elementary Processes with Atoms and Molecules in Isolated and Aggregated States

Abstract

Theoretical analysis of appearance energies for SF k + (k = 0−n) ion fragments of SF6 molecule as well as F+ and F 2 + ions at electron-impact dissociative ionization of SF n (n = 1−6) molecules is presented. Theoretical methods of GAMESS software package were used to calculate the total energies of neutral and charged molecular and atomic fragments. The dissociative ionization process is concluded to occur via repulsive highly-excited electronic states of the SF6 molecule and its fragments, due to which the observed appearance energies exceed the theoretical values. The electron binding energies on the molecular orbitals in the SF6 molecule are compared with the ion fragment appearance energies.

Graphical abstract

Keywords

Ionization Potential Excited Electronic State Dissociative Ionization Appearance Energy GAMESS Software Package 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2015

Authors and Affiliations

  1. 1.Institute of Electron PhysicsNational Academy of Sciences of UkraineUzhgorodUkraine

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