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  • 1
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 2606-2619 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: UV photolysis of Ar–HCl is simulated by means of an exact wave packet treatment in three dimensions. The focus of the work is on the mechanism of indirect dissociation of the hydrogen atom, which leads to total fragmentation of Ar–HCl into H, Ar, and Cl. The results predict for this photodissociation path a probability of about 13% of the photolysis process. The remaining probability would be associated with direct photodissociation of the H fragment. Kinetic-energy distributions of the hydrogen fragments produced by indirect photodissociation are calculated for different excitation energies of Ar–HCl. The distributions reflect a pronounced structure of peaks associated with broad and overlapping resonances of the system. The resonance structure is present in the whole energy range covered by the absorption spectrum. Hydrogen atoms initially populating the resonances can dissociate from the cluster extensively cooled down, after several collisions with Ar and Cl. A mechanism is suggested for the fragmentation process due to indirect photodissociation, which involves successive jumps of the hydrogen to lower-energy resonances, induced by the collisions. A classical collisional model is proposed to rationalize qualitatively the fragmentation dynamics. © 1999 American Institute of Physics.
    Materialart: Digitale Medien
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  • 2
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 4983-4993 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The UV photolysis of Ar–HCl is simulated by an exact wave packet calculation. Partial fragmentation of the cluster into H and Ar–Cl fragments is studied by projecting out the asymptotic wave packet onto the product states, at several excitation energies in the range of the Ar–HCl absorption spectrum. The partial fragmentation pathway is found to dominate the photolysis process at very low excitation energies, and to be intense also at high energies. At medium excitation energies the other competing fragmentation pathway, namely total fragmentation into H, Ar, and Cl, dominates almost completely the photodissociation dynamics. The relative intensity of the two fragmentation pathways depends on the extent to which the hydrogen is initially blocked by Ar and Cl. The Ar–Cl radicals are produced with high rotational and low vibrational excitation at most of the Ar–HCl energies studied. The internal energy distributions of Ar–Cl show remarkable differences in shape depending on the regions of the absorption spectrum which are excited. This effect can be exploited to control both the efficiency of Ar–Cl generation and the internal excitation of the radical prepared, by changing the excitation energy of the parent cluster. © 2000 American Institute of Physics.
    Materialart: Digitale Medien
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  • 3
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 5692-5694 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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