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X-ray-absorption spectrum of O2+

Cornetta, Lucas M. ; Kjellsson, Ludvig ; Couto, Rafael C. ; Ågren, Hans ; Carravetta, Vincenzo ; Sörensen, Stacey L. LU orcid ; Kubin, Markus ; Bülow, Christine ; Zamudio-Bayer, Vicente and Von Issendorff, Bernd , et al. (2025) In Physical Review A 111(2).
Abstract

The x-ray absorption spectrum of the O2+ molecular cation is measured. The ions are stored in a cryogenically cooled radiofrequency ion trap and probed by tunable synchrotron radiation. The spectrum exhibits several salient features: a three-state composite π∗ resonance at the low-energy side followed by a two-component exchange split, a highly dissociative, σ∗ resonance pulled down well below the ionization limit; and a complex valence-Rydberg high-energy part, including several resolved bands. Small structures are interpreted as correlation state satellites with leading internal or semi-internal configurations. Calculations using the restricted active space wave functions and quantum wave packet dynamics offer an overall excellent... (More)

The x-ray absorption spectrum of the O2+ molecular cation is measured. The ions are stored in a cryogenically cooled radiofrequency ion trap and probed by tunable synchrotron radiation. The spectrum exhibits several salient features: a three-state composite π∗ resonance at the low-energy side followed by a two-component exchange split, a highly dissociative, σ∗ resonance pulled down well below the ionization limit; and a complex valence-Rydberg high-energy part, including several resolved bands. Small structures are interpreted as correlation state satellites with leading internal or semi-internal configurations. Calculations using the restricted active space wave functions and quantum wave packet dynamics offer an overall excellent interpretation of the spectral features.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review A
volume
111
issue
2
article number
022808
publisher
American Physical Society
external identifiers
  • scopus:85218346902
ISSN
2469-9926
DOI
10.1103/PhysRevA.111.022808
language
English
LU publication?
yes
additional info
Publisher Copyright: © 2025 American Physical Society.
id
c80d9b2c-d3d5-4d8f-ad79-e79406548a0b
date added to LUP
2025-06-23 15:32:02
date last changed
2025-10-14 13:17:14
@article{c80d9b2c-d3d5-4d8f-ad79-e79406548a0b,
  abstract     = {{<p>The x-ray absorption spectrum of the O2+ molecular cation is measured. The ions are stored in a cryogenically cooled radiofrequency ion trap and probed by tunable synchrotron radiation. The spectrum exhibits several salient features: a three-state composite π∗ resonance at the low-energy side followed by a two-component exchange split, a highly dissociative, σ∗ resonance pulled down well below the ionization limit; and a complex valence-Rydberg high-energy part, including several resolved bands. Small structures are interpreted as correlation state satellites with leading internal or semi-internal configurations. Calculations using the restricted active space wave functions and quantum wave packet dynamics offer an overall excellent interpretation of the spectral features.</p>}},
  author       = {{Cornetta, Lucas M. and Kjellsson, Ludvig and Couto, Rafael C. and Ågren, Hans and Carravetta, Vincenzo and Sörensen, Stacey L. and Kubin, Markus and Bülow, Christine and Zamudio-Bayer, Vicente and Von Issendorff, Bernd and Lau, J. Tobias and Söderström, Johan and Agåker, Marcus and Rubensson, Jan Erik and Lindblad, Rebecka}},
  issn         = {{2469-9926}},
  language     = {{eng}},
  number       = {{2}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review A}},
  title        = {{X-ray-absorption spectrum of O2+}},
  url          = {{http://dx.doi.org/10.1103/PhysRevA.111.022808}},
  doi          = {{10.1103/PhysRevA.111.022808}},
  volume       = {{111}},
  year         = {{2025}},
}