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The European Physical Journal D

, Volume 43, Issue 1–3, pp 201–204 | Cite as

Dynamical aspects and the role of IVR for the reactivity of noble metal clusters towards molecular oxygen

  • R. Mitrić
  • U. Werner
  • C. Bürgel
  • V. Bonačić-KouteckýEmail author
Cluster Reactivity and Nano-catalysis
  • 55 Downloads

Abstract.

Here, we present the dynamical aspects and the role of internal energy redistribution (IVR) in the reactivity of noble metal clusters towards O2. We show on the example of Ag3O2 - / Ag3O2 / Ag3O2 + that NeNePo spectroscopy carried out under zero electron kinetic energy (ZEKE) conditions can be a powerful tool to investigate the geometry relaxation and IVR induced by photodetachment in real time. Furthermore, we demonstrate that difference in the reactivity of Ag6 - and Au6 - towards O2 can be attributed to different nature of the IVR process. Dissipative IVR in Ag6 - favors fast complex stabilization, whereas resonant IVR found for Au6 - might be an important factor determining the catalytic activity of Au6 - cluster in the CO oxidation.

PACS.

31.15.Qg Molecular dynamics and other numerical methods 31.15.Ar Ab initio calculations 

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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  • R. Mitrić
    • 1
  • U. Werner
    • 1
  • C. Bürgel
    • 1
  • V. Bonačić-Koutecký
    • 1
    Email author
  1. 1.Humboldt-Universität zu Berlin, Institut für ChemieBerlinGermany

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