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The multielectron character of the S 2p → 4eg shape resonance in the SF6 molecule studied via detection of soft X-ray emission and neutral high-Rydberg fragments

Kivimäki, A. LU ; Coreno, M.; Miotti, P.; Frassetto, F.; Poletto, L.; Stråhlman, C. LU ; De Simone, M. and Richter, R. (2016) In Journal of Electron Spectroscopy and Related Phenomena 209. p.26-33
Abstract

We have studied the nature of the S 2p → 4eg shape resonance in the SF6 molecule by performing two different experiments. Soft X-ray emission spectra measured at the 4eg shape resonance reveal features that do not originate from the S 2p-1 states. One of the features can be assigned to the 6a1g → S 2p transition. The 6a1g orbital, which is empty in the molecular ground state, can be populated either in core-valence double excitations or in S 2p shake-up transitions. Both these channels are considered. We have also studied the fragmentation of SF6 molecule after the decay of the S 2p core-hole states by observing neutral fragments in high-Rydberg states, where... (More)

We have studied the nature of the S 2p → 4eg shape resonance in the SF6 molecule by performing two different experiments. Soft X-ray emission spectra measured at the 4eg shape resonance reveal features that do not originate from the S 2p-1 states. One of the features can be assigned to the 6a1g → S 2p transition. The 6a1g orbital, which is empty in the molecular ground state, can be populated either in core-valence double excitations or in S 2p shake-up transitions. Both these channels are considered. We have also studied the fragmentation of SF6 molecule after the decay of the S 2p core-hole states by observing neutral fragments in high-Rydberg states, where an electron occupies an orbital with n ≥ 20 (n is the principal quantum number). Such neutral fragments become, in relative terms, more abundant at the S 2p → 4eg shape resonance with respect to the S 2p → 2t2g shape resonance, which is a pure one-electron phenomenon.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Double excitations, High-Rydberg states, SF, Shake-up transitions, Shape resonance, Soft X-ray emission
in
Journal of Electron Spectroscopy and Related Phenomena
volume
209
pages
8 pages
publisher
Elsevier
external identifiers
  • Scopus:84962144485
  • WOS:000376547100004
ISSN
0368-2048
DOI
10.1016/j.elspec.2016.03.002
language
English
LU publication?
yes
id
7601f2d9-9a28-4169-a873-dbed8731550d
date added to LUP
2016-05-10 09:25:03
date last changed
2017-02-03 11:18:44
@article{7601f2d9-9a28-4169-a873-dbed8731550d,
  abstract     = {<p>We have studied the nature of the S 2p → 4e<sub>g</sub> shape resonance in the SF<sub>6</sub> molecule by performing two different experiments. Soft X-ray emission spectra measured at the 4e<sub>g</sub> shape resonance reveal features that do not originate from the S 2p<sup>-1</sup> states. One of the features can be assigned to the 6a<sub>1g</sub> → S 2p transition. The 6a<sub>1g</sub> orbital, which is empty in the molecular ground state, can be populated either in core-valence double excitations or in S 2p shake-up transitions. Both these channels are considered. We have also studied the fragmentation of SF<sub>6</sub> molecule after the decay of the S 2p core-hole states by observing neutral fragments in high-Rydberg states, where an electron occupies an orbital with n ≥ 20 (n is the principal quantum number). Such neutral fragments become, in relative terms, more abundant at the S 2p → 4e<sub>g</sub> shape resonance with respect to the S 2p → 2t<sub>2g</sub> shape resonance, which is a pure one-electron phenomenon.</p>},
  author       = {Kivimäki, A. and Coreno, M. and Miotti, P. and Frassetto, F. and Poletto, L. and Stråhlman, C. and De Simone, M. and Richter, R.},
  issn         = {0368-2048},
  keyword      = {Double excitations,High-Rydberg states,SF,Shake-up transitions,Shape resonance,Soft X-ray emission},
  language     = {eng},
  month        = {05},
  pages        = {26--33},
  publisher    = {Elsevier},
  series       = {Journal of Electron Spectroscopy and Related Phenomena},
  title        = {The multielectron character of the S 2p → 4e<sub>g</sub> shape resonance in the SF<sub>6</sub> molecule studied via detection of soft X-ray emission and neutral high-Rydberg fragments},
  url          = {http://dx.doi.org/10.1016/j.elspec.2016.03.002},
  volume       = {209},
  year         = {2016},
}