| Issue |
Europhys. Lett.
Volume 72, Number 2, October 2005
|
|
|---|---|---|
| Page(s) | 228 - 234 | |
| Section | Atomic and molecular physics | |
| DOI | https://doi.org/10.1209/epl/i2005-10227-7 | |
| Published online | 14 September 2005 | |
Ionization of metal atoms following valence-excitation of neighbouring molecules
1
Theoretische Chemie, Physicalisch-Chemisches Institut, Universität Heidelberg Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany
2
Laboratory of Quantum Chemistry, Computer Centre, Irkutsk State University 664003 Irkutsk, Russian Federation
3
Department of Chemistry, Chevron Science Center - Pittsburgh, PA 15260, USA
Received:
30
June
2005
Accepted:
18
August
2005
A new relaxation pathway of optically allowed valence-excitations in
molecules bound to metal atoms was investigated. We show that the
excitation of HCN in MgnHCN (
)
clusters decays through the emission of an electron from the metallic
component. The calculated lifetimes are of the order of 140
for
MgHCN and 25 for Mg2HCN. These short lifetimes suggest
that the relaxation mechanism discussed here should dominate
for molecules adsorbed on metal clusters or surfaces. We find that at
large distances this decay is dominated by energy transfer.
PACS: 34.50.Gb – Electronic excitation and ionization of molecules; intermediate molecular states (including lifetimes, state mixing, etc.) / 36.40.Cg – Electronic and magnetic properties of clusters
© EDP Sciences, 2005
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