Hydrogen migration in formation of NH(A 3Pi) radicals radicals via superexcited states in photodissociation of isoxazole molecules (Articolo in rivista)

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  • Hydrogen migration in formation of NH(A 3Pi) radicals radicals via superexcited states in photodissociation of isoxazole molecules (Articolo in rivista) (literal)
Anno
  • 2014-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1063/1.4891808 (literal)
Alternative label
  • Zubek M.; Wasowicz T.J.; Dabkowska I.; Kivimaki A.; Coreno M. (2014)
    Hydrogen migration in formation of NH(A 3Pi) radicals radicals via superexcited states in photodissociation of isoxazole molecules
    in The Journal of chemical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Zubek M.; Wasowicz T.J.; Dabkowska I.; Kivimaki A.; Coreno M. (literal)
Pagina inizio
  • 064301 (literal)
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  • http://www.scopus.com/inward/record.url?eid=2-s2.0-84906238875&partnerID=q2rCbXpz (literal)
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  • 141 (literal)
Rivista
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  • 6 (literal)
Note
  • Scopu (literal)
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  • Department of Physics of Electronic Phenomena, Gdansk University of Technology, 80-233 Gdansk, Poland; Department of Chemistry, University of Gdansk, 80-952 Gdansk, Poland; CNR-IOM, Laboratorio TASC, 34149 Trieste, Italy; Gas Phase Beamline at Elettra, Basovizza Area Science Park, 34149 Trieste, Italy; CNR-IMIP, Monterotondo, 00016 Rome, Italy (literal)
Titolo
  • Hydrogen migration in formation of NH(A 3Pi) radicals radicals via superexcited states in photodissociation of isoxazole molecules (literal)
Abstract
  • Formation of the excited NH(A3?) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A3?) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom (or proton) migration within the molecule prior to dissociation. The vertical excitation energies of the superexcited states were determined and the dissociation mechanisms of isoxazole are discussed. The density functional and ab initio quantum chemical calculations have been performed to study the mechanism of the NH formation. (literal)
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