TY - JOUR
T1 - Experimental and theoretical near-edge x-ray-absorption fine-structure studies of NO+
AU - Lindblad, Rebecka
AU - Kjellsson, Ludvig
AU - De Santis, Emiliano
AU - Zamudio-Bayer, Vicente
AU - Von Issendorff, Bernd
AU - Sorensen, Stacey L.
AU - Lau, J. Tobias
AU - Hua, Weijie
AU - Carravetta, Vincenzo
AU - Rubensson, Jan Erik
AU - Ågren, Hans
AU - Couto, Rafael C.
PY - 2022/10
Y1 - 2022/10
N2 - 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+.
AB - 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+.
U2 - 10.1103/PhysRevA.106.042814
DO - 10.1103/PhysRevA.106.042814
M3 - Article
AN - SCOPUS:85141596315
VL - 106
JO - Physical Review A
JF - Physical Review A
SN - 2469-9926
IS - 4
M1 - 042814
ER -