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Digitale Medien

High-resolution and symmetry-resolved N and O K-edge absorption spectra of NO (1992)

Kosugi, Nobuhiro ; Adachi, Jun-ichi ; Shigemasa, Eiji ; [weitere]

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 97 (1992), S. 8842-8849

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Details

ISSN: 1089-7690

Quelle: AIP Digital Archive

Thema: Physik , Chemie und Pharmazie

Notizen: High-resolution electron-yield and "symmetry-resolved'' ion-yield spectra have been measured at the N and O K edges of a 2Π open-shell molecule, NO. Several Rydberg transitions converging to the 3Π and 1Π ionization thresholds are found. The core-to-valence and core-to-Rydberg transitions are interpreted with the help of ab initio self-consistent-field configuration-interaction and frozen-core calculations for the core-excited states with three open shells. It is found that the equivalent-core model (N*O=O2) breaks down in discussing the state ordering of the three N 1s–2pπ* excited states, 2Δ, 2Σ−, and 2Σ+. It is important to consider explicitly the core hole and the exchange repulsion between the core and π* electrons.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1063/1.463359

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