Berlin 2005 – wissenschaftliches Programm
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MO: Molekülphysik
MO 42: Poster II
MO 42.26: Poster
Dienstag, 8. März 2005, 14:00–16:00, Poster HU
The Interatomic Coulombic Decay in Ne2 — •Simona Scheit, Hans-Dieter Meyer, and Lorenz S. Cederbaum — Institut für theoretische Chemie, Im Neuenheimer Feld 229, 69120 Heidelberg
The Interatomic Coulombic Decay (ICD) is the mechanism by which an inner valence ionized atomic or molecular cluster decays via electron emission. The ICD takes place in weakly bound clusters, typically Van der Waals or hydrogen bound ones, in which the inner valence hole is well localized on one of the constituting monomers. One of the simplest systems which can undergo ICD is the Ne dimer: here the inner valence hole, localized on one of the Ne atoms, is filled by an outer valence electron belonging to the same monomer. The energy gained in this transition is transferred to the neighboring Ne atom and used for the emission of an outer valence electron. The resulting system is a Ne dication, with two outer valence holes each localized on a different Ne atom. The system eventually undergoes Coulomb explosion due to the repulsion between the two positive charges. Important for the ICD to take place is that the two outer valence holes can be localized on different, weakly bound monomers. This decreases the Coulomb repulsion between the two holes and results in a lowering of the double ionization potential below the threshold for single ionization. The ICD process with its underlying dynamics as well as its occurrence in Ne clusters of various size have been theoretically predicted a few years ago and very recently experimentally confirmed. In this contribution the theoretical description of the ICD in the Ne dimer with its underlying nuclear dynamics will be presented and compared with the experimental results.