| Sumario: | Laser ablation generated Au(TiO)O (x = 0, 1; y = 2, 3; z = 1, 2) oxide cluster anions have been mass-selected using a quadrupole mass filter and reacted with CO in a hexapole collision cell. The reactions have been characterized by time-of-flight mass spectrometry and density functional theory calculations. Gold-titanium bimetallic oxide clusters Au(TiO)O are more reactive in CO oxidation than pure titanium oxide clusters (TiO)O. The computational studies identify the dual roles that the gold atom plays in CO oxidation: functioning as a CO trapper and electron acceptor. Both factors are important for the high reactivity of Au(TiO)O clusters. To the best of our knowledge, this is the first example of CO oxidation by gold-containing heteronuclear oxide clusters, which provides molecular-level insights into the roles of gold in CO oxidation over oxide supports.
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