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

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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.

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Authors and Affiliations

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

    Shandor Sh. Demesh & Eugene Yu. Remeta

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  1. Shandor Sh. Demesh
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  2. Eugene Yu. Remeta
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Correspondence to Shandor Sh. Demesh.

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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.

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Demesh, S.S., Remeta, E.Y. Ion appearance energies at electron-impact dissociative ionization of sulfur hexafluoride molecule and its fragments. Eur. Phys. J. D 69, 168 (2015). https://doi.org/10.1140/epjd/e2015-50636-4

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