Charging Effects on Bonding and Catalyzed Oxidation of CO on Au 8 Clusters on MgO
Top Cited Papers
- 21 January 2005
- journal article
- other
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 307 (5708), 403-407
- https://doi.org/10.1126/science.1104168
Abstract
Gold octamers (Au 8 ) bound to oxygen-vacancy F-center defects on Mg(001) are the smallest clusters to catalyze the low-temperature oxidation of CO to CO 2 , whereas clusters deposited on close-to-perfect magnesia surfaces remain chemically inert. Charging of the supported clusters plays a key role in promoting their chemical activity. Infrared measurements of the stretch vibration of CO adsorbed on mass-selected gold octamers soft-landed on MgO(001) with coadsorbed O 2 show a red shift on an F-center–rich surface with respect to the perfect surface. The experiments agree with quantum ab initio calculations that predict that a red shift of the C–O vibration should arise via electron back-donation to the CO antibonding orbital.Keywords
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