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

Shandor Sh. Demesh; Eugene Yu. Remeta

doi:10.1140/epjd/e2015-50636-4

2021 Impact factor 1.611

Atomic, Molecular, Optical and Plasma Physics

Topical Issue: Elementary Processes with Atoms and Molecules in Isolated and Aggregated States. Guest editors: Friedrich Aumayr, Bratislav Marinkovic, Štefan Matejčík, John Tanis, Kurt H. Becker

Eur. Phys. J. D (2015) 69: 168
https://doi.org/10.1140/epjd/e2015-50636-4

Regular Article

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

Shandor Sh. Demesh^a and Eugene Yu. Remeta

Institute of Electron Physics, National Academy of Sciences of Ukraine, 88017 Uzhgorod, Ukraine

^a e-mail: demesh.shandor@gmail.com

Received: 28 August 2014
Received in final form: 14 January 2015
Published online: 7 July 2015

Abstract

Theoretical analysis of appearance energies for SF_k⁺ (k = 0−n) ion fragments of SF₆ molecule as well as F⁺ and F₂⁺ 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.

Contribution to the Topical Issue “Elementary Processes with Atoms and Molecules in Isolated and Aggregated States”, edited by Friedrich Aumayr, Bratislav Marinkovic, Stefan Matejcik, John Tanis and Kurt H. Becker.

© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2015