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Experimental and theoretical near-edge x-ray-absorption fine-structure studies of NO+
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry. Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden.;Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany..ORCID iD: 0000-0001-6162-1167
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Chemical and Bio-Molecular Physics. European XFEL GmbH, Holzkoppel 4, 22869 Schenefeld, Germany..ORCID iD: 0000-0001-9545-3579
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.ORCID iD: 0000-0001-5029-7429
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2022 (English)In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 106, no 4, article id 042814Article in journal (Refereed) Published
Abstract [en]

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 pi* resonance, and a shift of the sigma* 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+.

Place, publisher, year, edition, pages
American Physical Society, 2022. Vol. 106, no 4, article id 042814
National Category
Atom and Molecular Physics and Optics
Research subject
Physics
Identifiers
URN: urn:nbn:se:uu:diva-488287DOI: 10.1103/physreva.106.042814ISI: 000879523600001OAI: oai:DiVA.org:uu-488287DiVA, id: diva2:1710365
Funder
Swedish Research Council, SNIC 2021/3-22Swedish Research Council, 637-2014-6929Swedish Research Council, 2014-04518EU, Horizon 2020, 730872Available from: 2022-11-11 Created: 2022-11-11 Last updated: 2023-04-05Bibliographically approved

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Lindblad, RebeckaKjellsson, LudvigDe Santis, EmilianoRubensson, Jan-ErikÅgren, HansCouto, Rafael Carvalho

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Lindblad, RebeckaKjellsson, LudvigDe Santis, EmilianoZamudio-Bayer, Vicentevon Issendorff, BerndSorensen, Stacey L.Lau, J. TobiasHua, WeijieCarravetta, VincenzoRubensson, Jan-ErikÅgren, HansCouto, Rafael Carvalho
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Inorganic ChemistryChemical and Bio-Molecular PhysicsDepartment of Physics and Astronomy
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Physical Review A: covering atomic, molecular, and optical physics and quantum information
Atom and Molecular Physics and Optics

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