Symmetry and vibrationally resolved absorption spectra near the N K edges of N{sub 2}O: Experiment and theory

Journal Article · Wed Jun 15 04:00:00 EDT 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.83.062506· OSTI ID:21550095

Ehara, M ^[1]; Horikawa, T ^[2]; Fukuda, R ^[1]; Nakatsuji, H ^[3]; Tanaka, T; Kato, H; Hoshino, M; Tanaka, H ^[4]; Feifel, R ^[5]; Ueda, K ^[6]

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1. Institute for Molecular Science, 38 Nishigonaka, Myodaiji, Okazaki, 444-8585 (Japan)
2. Graduate University for Advanced Studies, Okazaki 444-8585 (Japan)
3. JST, CREST, Sanboncho-5, Chiyoda-ku, Tokyo 102-0075 (Japan)
4. Department of Physics, Sophia University, Tokyo 102-8554 (Japan)
5. Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden)
6. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

In this study, angle-resolved energetic-ion yield spectra were measured in the N 1s excitation region of N{sub 2}O. A Franck-Condon analysis based on ab initio two-dimensional potential energy surfaces of the core-excited Rydberg states, which were calculated by the symmetry-adapted cluster-configuration interaction method, reproduced observed vibrational excitations specific to the individual Rydberg states well and enabled quantitative assignments. Geometric changes in the terminal nitrogen N{sub t} 1s and the central nitrogen N{sub c} 1s excited states with respect to the 3p{pi}, 3p{sigma}, and 4s{sigma} transitions were analyzed. The coupling of these valence and Rydbergs states was examined based on the second moment analysis. Irregular Rydberg-state behavior in the N{sub c} 1s{sup -1} 4s{sigma} state was observed.

• OSTI ID: 21550095
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 6 Vol. 83; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
74 ATOMIC AND MOLECULAR PHYSICS
ABSORPTION SPECTRA
CHALCOGENIDES
CHARGED PARTICLES
CONFIGURATION INTERACTION
COUPLING
ELEMENTS
ENERGY
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FRANCK-CONDON PRINCIPLE
IONS
NITROGEN
NITROGEN COMPOUNDS
NITROGEN OXIDES
NITROUS OXIDE
NONMETALS
OXIDES
OXYGEN COMPOUNDS
POTENTIAL ENERGY
RYDBERG STATES
SPECTRA
SYMMETRY
TAIL IONS
TWO-DIMENSIONAL CALCULATIONS
VALENCE