Lindblad, R.; Kjellsson, L.; De Santis, E.; Zamudio-Bayer, V.; Von Issendorff, B.; Sorensen, S.L.; Lau, J.T.; Hua, W.; Carravetta, V.; Rubensson, J.E.; Ågren, H.; Couto, R.C.: Experimental and theoretical near-edge x-ray-absorption fine-structure studies of NO+. Physical Review A 106 (2022), p. 042814/1-8
10.1103/physreva.106.042814
Open Access Version
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 isoelectronic closed-shell species NO+, N2, and N2H+.