N 1s photoelectron angular distributions from fixed-in-space NO2 molecules: Stereodynamics and symmetry considerations (Articolo in rivista)

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  • N 1s photoelectron angular distributions from fixed-in-space NO2 molecules: Stereodynamics and symmetry considerations (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Alternative label
  • Yamazaki, Masakazu; Adachi, Jun-ichi; Kimura, Yasuyuki; Stener, Mauro; Decleva, Piero; Yagishita, Akira (2010)
    N 1s photoelectron angular distributions from fixed-in-space NO2 molecules: Stereodynamics and symmetry considerations
    in The Journal of chemical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Yamazaki, Masakazu; Adachi, Jun-ichi; Kimura, Yasuyuki; Stener, Mauro; Decleva, Piero; Yagishita, Akira (literal)
Pagina inizio
  • 164301 -1 (literal)
Pagina fine
  • 164301 -9 (literal)
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  • 133 (literal)
Rivista
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  • 9 (literal)
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  • 16 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Photon Factory, Institute of Materials Structure Science, KEK, Oho 1-1, Tsukuba 305-0801, Japan Department of Chemistry, Graduate School of Science, The University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo 113-0033, Japan Dipartimento di Scienze Chimiche, Università di Trieste, Via L. Giorgieri 1, I-34127 Trieste, Italy; Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali, Unita' di Trieste, 34127 Trieste, Italy; and CNR-IOM DEMOCRITOS, 34149 Trieste, Italy (literal)
Titolo
  • N 1s photoelectron angular distributions from fixed-in-space NO2 molecules: Stereodynamics and symmetry considerations (literal)
Abstract
  • Angular distributions of N 1s photoelectrons from fixed-in-space NO2 molecules have been measured over the energy region of shape resonance and above. A multiple-coincidence velocity-map imaging technique for observation of molecular frame photoelectron angular distributions (MF-PADs) has been extended to nonlinear molecular targets. Density functional theory calculations have also been conducted to elucidate the photoionization dynamics and shape resonance in the N 1s photoionization of NO2. Results show that the N 1s MF-PADs exhibit strong shape variation as a function of both photoelectron kinetic energy and symmetries of final states, whereas asymmetry parameters of laboratory frame PADs show a local minimum around the shape resonance region and increase monotonically as the photon energy increases. Over the shape resonance, the spatial shape of the photoelectron wave function with b(2)-symmetry closely resembles that of 5b(2)* unoccupied molecular orbital of NO2, although the MF-PAD pattern for b(2)-symmetry does not correspond directly to the 5b(2)* orbital shape. At higher kinetic energy of 90 eV, MF-PADs become less structured, but still show a significant dependence on the symmetry of final states. (C) 2010 American Institute of Physics (literal)
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