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  • Articles  (2)
  • American Institute of Physics (AIP)  (2)
  • Amsterdam : Elsevier
  • 2000-2004  (2)
  • 1995-1999
  • 2004
  • 2002  (1)
  • 2000  (1)
  • Chemistry and Pharmacology  (2)
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  • Articles  (2)
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  • 2000-2004  (2)
  • 1995-1999
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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 2265-2273 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Quantum mechanical calculations on the vibrational predissociation dynamics of NeBr2 in the B electronic state have been performed and the results compared with both experimental data and other computational studies. For vibrational levels with v≤20 we find that the vibrational state dependence of the predissociation lifetimes is in qualitative agreement with experimental measurements, as are the calculated Br2 fragment rotational distributions. For higher vibrational levels, the B←X excitation profiles are well represented by a sum of two Lorentzian line shapes. We attribute this result to the presence of long-lived resonances in the dissociative continuum that are reminiscent of long-lived dissociative trajectories in previous classical studies of NeBr2. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 1361-1369 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The electronic energy transfer pathways that occur following collisions between I2 in the E ion-pair electronic state (v=0, J=55) and He and Ar atoms have been determined. The nearby D, D′, and β ion-pair states are populated, but with relative branching ratios that vary with the rare gas collision partner. In He/I2 collisions, the D state is preferentially populated, while Ar/I2 collisions preferentially populate the β electronic state. Bimolecular rate constants and effective hard sphere collision cross sections have been determined for each channel; the cross sections range from 7.0±1.0 Å2 for populating the β state with Ar collisions to 0.9±0.2 Å2 for populating the D′ state with He collisions. For both rare gas collision partners, and all three final electronic states, low vibrational levels are populated, in rough accord with the relevant Franck–Condon factors. There is little propensity observed for population of vibrational levels that are in near resonance with the initially prepared level in the E state. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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