Book of Abstracts Book of Abstracts - Universität Konstanz

Photodissociation of rare-gas trimer cations.
Daniel Hrivňák 1 , René Kalus 1 , Florent X. Gadéa 2
1 Department of Physics, University of Ostrava, Czech Republic
2 Groupe NanoScience, CEMES, France
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Hemiquantal, mean-field dynamics and recently developed extended diatomics-inmolecules
models of intra-cluster interactions and electronic transitions in rare-gas cluster
cations are used to study the dissociation of argon, krypton and xenon trimer cations after
absorption of a photon. The main focus is on the importance of the spin-orbit coupling for the
photodissociation dynamics. The theoretical data on fragmentation channels, the kinetic energy
of photofragments and the ratios for the symmetric and asymmetric fragmentation are
thoroughly compared with the experimental data by Haberland’s group. A very good agreement
is obtained. The importance of initial vibrational excitations of the trimer cations is also
analyzed using a constant-temperature Monte Carlo sampling method. It has been found that the
kinetic energy of photofragments is only negligibly influenced by the initial heating of the
trimer, the ratios of the symmetric fragmentation change significantly with temperature
however, particularly in the temperature region corresponding to structural changes of the
trimers.
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