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

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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.


  • A. Kivimäki
  • M. Coreno
  • P. Miotti
  • F. Frassetto
  • L. Poletto
  • C. Stråhlman
  • M. De Simone
  • R. Richter
Enheter & grupper
Externa organisationer
  • Istituto Officina dei Materiali
  • Istituto per le Tecnologie Applicate ai Beni Culturali (CNR-ITABC)
  • Elettra Sincrotrone Trieste

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Atom- och molekylfysik och optik


Sidor (från-till)26-33
Antal sidor8
TidskriftJournal of Electron Spectroscopy and Related Phenomena
StatusPublished - 2016 maj 1
Peer review utfördJa