On the Role of Scattering Resonances in the F+HD Reactions Dynamics (Articolo in rivista)

Type
Label
  • On the Role of Scattering Resonances in the F+HD Reactions Dynamics (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp0759473 (literal)
Alternative label
  • D. De Fazio [3], S. Cavalli[2], V. Aquilanti[2], A.A. Buchacenko[4] and T.V. Tscherbul[1] (2007)
    On the Role of Scattering Resonances in the F+HD Reactions Dynamics
    in The journal of physical chemistry. A
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • D. De Fazio [3], S. Cavalli[2], V. Aquilanti[2], A.A. Buchacenko[4] and T.V. Tscherbul[1] (literal)
Pagina inizio
  • 12538 (literal)
Pagina fine
  • 12549 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 111 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 12 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 49 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • [ 1 ] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada [ 2 ] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy [ 3 ] CNR, Ist Metodol Inorgan & Plasmi, I-70126 Bari, Italy [ 4 ] Moscow MV Lomonosov State Univ, Dept Chem, Lab Mol Struct & Quantum Mech, Moscow 119992, Russia (literal)
Titolo
  • On the Role of Scattering Resonances in the F+HD Reactions Dynamics (literal)
Abstract
  • We study scattering resonances in the F + HD -> HF + D reaction using a new method for direct evaluation of the lifetime Q-matrix [Aquilanti et al., J. Chem. Phys. 2005, 123, 054314]. We show that most of the resonances are due to van der Waals states in the entrance and exit reaction channels. The metastable states observed in the product reaction channel are assigned by calculating the energy levels and wave functions of the HF center dot center dot center dot D van der Waals complex. The behavior of resonance energies, widths, and decay branching ratios as functions of total angular momentum is analyzed. The effect of isotopic substitution on resonance energies and lifetimes is elucidated by comparison with previous results for the F + H-2 reaction. It is demonstrated that HF(nu' = 3) products near threshold are formed by decay of the narrow resonances supported by van der Waals wells in the exit channel. State-to-state differential cross sections in the HF(nu' = 3) channel exhibit characteristic forward-backward peaks due to the formation of a long-lived metastable complex. The role of the exit-channel resonances in the interpretation of molecular beam experiments is discussed. (literal)
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