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Experimental and theoretical near-edge x-ray-absorption fine-structure studies of NO+

Lindblad, Rebecka LU ; Kjellsson, Ludvig ; De Santis, Emiliano ; Zamudio-Bayer, Vicente ; Von Issendorff, Bernd ; Sorensen, Stacey L. LU orcid ; Lau, J. Tobias ; Hua, Weijie ; Carravetta, Vincenzo and Rubensson, Jan Erik , et al. (2022) In Physical Review A 106(4).
Abstract

Experimental near-edge x-ray-absorption fine-structure (NEXAFS) spectra of the nitrosonium NO+ ion are presented and theoretically analyzed. While neutral NO has an open shell, the cation is a closed-shell species, which for NEXAFS leads to the simplicity of a closed-shell spectrum. Compared to neutral NO, the electrons in the cation experience a stronger Coulomb potential, which introduces a shift of the ionization potential towards higher energies, a depletion of intensity in a large interval above the π∗ resonance, and a shift of the σ∗ resonance from the continuum to below the ionization threshold. NEXAFS features at the nitrogen and oxygen K edges of NO+ are compared, as well as NEXAFS features at the nitrogen edges of the... (More)

Experimental near-edge x-ray-absorption fine-structure (NEXAFS) spectra of the nitrosonium NO+ ion are presented and theoretically analyzed. While neutral NO has an open shell, the cation is a closed-shell species, which for NEXAFS leads to the simplicity of a closed-shell spectrum. Compared to neutral NO, the electrons in the cation experience a stronger Coulomb potential, which introduces a shift of the ionization potential towards higher energies, a depletion of intensity in a large interval above the π∗ resonance, and a shift of the σ∗ resonance from the continuum to below the ionization threshold. NEXAFS features at the nitrogen and oxygen K edges of NO+ are compared, as well as NEXAFS features at the nitrogen edges of the isoelectronic closed-shell species NO+, N2, and N2H+.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review A
volume
106
issue
4
article number
042814
publisher
American Physical Society
external identifiers
  • scopus:85141596315
ISSN
2469-9926
DOI
10.1103/PhysRevA.106.042814
language
English
LU publication?
yes
id
1583f724-31ff-43b2-bc09-e6e6e2daabf1
date added to LUP
2022-12-05 10:11:02
date last changed
2024-05-30 19:58:48
@article{1583f724-31ff-43b2-bc09-e6e6e2daabf1,
  abstract     = {{<p>Experimental near-edge x-ray-absorption fine-structure (NEXAFS) spectra of the nitrosonium NO+ ion are presented and theoretically analyzed. While neutral NO has an open shell, the cation is a closed-shell species, which for NEXAFS leads to the simplicity of a closed-shell spectrum. Compared to neutral NO, the electrons in the cation experience a stronger Coulomb potential, which introduces a shift of the ionization potential towards higher energies, a depletion of intensity in a large interval above the π∗ resonance, and a shift of the σ∗ resonance from the continuum to below the ionization threshold. NEXAFS features at the nitrogen and oxygen K edges of NO+ are compared, as well as NEXAFS features at the nitrogen edges of the isoelectronic closed-shell species NO+, N2, and N2H+.</p>}},
  author       = {{Lindblad, Rebecka and Kjellsson, Ludvig and De Santis, Emiliano and Zamudio-Bayer, Vicente and Von Issendorff, Bernd and Sorensen, Stacey L. and Lau, J. Tobias and Hua, Weijie and Carravetta, Vincenzo and Rubensson, Jan Erik and Ågren, Hans and Couto, Rafael C.}},
  issn         = {{2469-9926}},
  language     = {{eng}},
  number       = {{4}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review A}},
  title        = {{Experimental and theoretical near-edge x-ray-absorption fine-structure studies of NO+}},
  url          = {{http://dx.doi.org/10.1103/PhysRevA.106.042814}},
  doi          = {{10.1103/PhysRevA.106.042814}},
  volume       = {{106}},
  year         = {{2022}},
}