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

被引：3

作者：

Lindblad, Rebecka ^{[1
,2
,3
]}

Kjellsson, Ludvig ^{[4
,5
]}

De Santis, Emiliano ^{[4
]}

Zamudio-Bayer, Vicente ^{[3
]}

von Issendorff, Bernd ^{[6
]}

Sorensen, Stacey L. ^{[2
]}

Lau, J. Tobias ^{[3
,6
]}

Hua, Weijie ^{[7
]}

Carravetta, Vincenzo ^{[8
]}

Rubensson, Jan-Erik ^{[4
]}

Agren, Hans ^{[4
]}

Couto, Rafael C. ^{[9
]}

机构：

[1] Uppsala Univ, Dept Chem, Angstrom Lab, Inorgan Chem, S-75121 Uppsala, Sweden

[2] Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden

[3] Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany

[4] Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala, Sweden

[5] European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany

[6] Albert Ludwigs Univ Freiburg, Phys Inst, Hermann Herder Str 3, D-79104 Freiburg, Germany

[7] Nanjing Univ Sci & Technol, Sch Sci, Dept Appl Phys, MIIT Key Lab Semicond Microstruct & Quantum Sensi, Nanjing 210094, Peoples R China

[8] CNR, IPCF, Via Moruzzi 1, I-56124 Pisa, Italy

[9] Royal Inst Technol, Sch Chem Biotechnol & Hlth, Div Theoret Chem & Biol, S-10691 Stockholm, Sweden

来源：

PHYSICAL REVIEW A | 2022年 / 106卷 / 04期

基金：

瑞典研究理事会; 欧盟地平线“2020”;

关键词：

1S CORE-EXCITATION; PERTURBATION-THEORY; SPECTROSCOPY; DYNAMICS; SPECTRA; CARBON;

D O I：

10.1103/PhysRevA.106.042814

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

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+.

引用

页数：8

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