Display options
Cite
Hagen J, Socaciu LD, Le Roux J, et al. Cooperative effects in the activation of molecular oxygen by anionic silver clusters. J Am Chem Soc. 2004;126(11):3442-3doi: 10.1021/ja038948r.
Hagen, J., Socaciu, L. D., Le Roux, J., Popolan, D., Bernhardt, T. M., Wöste, L., Mitrić, R., Noack, H., & Bonacić-Koutecký, V. (2004). Cooperative effects in the activation of molecular oxygen by anionic silver clusters. Journal of the American Chemical Society, 126(11), 3442-3. https://doi.org/10.1021/ja038948r
Hagen, Jan, et al. "Cooperative effects in the activation of molecular oxygen by anionic silver clusters." Journal of the American Chemical Society vol. 126,11 (2004): 3442-3. doi: https://doi.org/10.1021/ja038948r
Hagen J, Socaciu LD, Le Roux J, Popolan D, Bernhardt TM, Wöste L, Mitrić R, Noack H, Bonacić-Koutecký V. Cooperative effects in the activation of molecular oxygen by anionic silver clusters. J Am Chem Soc. 2004 Mar 24;126(11):3442-3. doi: 10.1021/ja038948r. PMID: 15025469.
Copy Download .nbib Format: NLM
Share it on

J Am Chem Soc. 2004 Mar 24;126(11):3442-3. doi: 10.1021/ja038948r.

Cooperative effects in the activation of molecular oxygen by anionic silver clusters.

Journal of the American Chemical Society

Jan Hagen, Liana D Socaciu, Jérôme Le Roux, Denisia Popolan, Thorsten M Bernhardt, Ludger Wöste, Roland Mitrić, Holger Noack, Vlasta Bonacić-Koutecký

Affiliations

  1. Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany. [email protected]

PMID: 15025469 DOI: 10.1021/ja038948r

Abstract

A novel size dependence in the adsorption reaction of multiple O2 molecules onto anionic silver clusters Agn- (n = 1-5) is revealed by gas-phase reaction studies in an rf-ion trap. Ab initio theoretical modeling based on DFT method provides insight into the reaction mechanism and finds cooperative electronic and structural effects to be responsible for the size selective reactivity of Agn- clusters toward one or more O2. In particular, Agn- clusters with odd n have paired electrons and therefore bind one O2 only weakly, but they are simultaneously activated to adsorb a strongly bound second oxygen molecule. For the clusters Ag3O4- and Ag5O4-, this cooperative effect results in a superoxo-like, doubly bound O2 subunit with potentially high activity in catalytic silver cluster oxidation processes.

Publication Types