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À propos de : Oxidation of Carbon Monoxide on Group 11 Metal Atoms: Matrix-Isolation InfraredSpectroscopic and Density Functional Theory Study        

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  • Oxidation of Carbon Monoxide on Group 11 Metal Atoms: Matrix-Isolation InfraredSpectroscopic and Density Functional Theory Study
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  • Laser-ablated Cu, Ag, and Au atoms react with CO and O2 mixture in solid argon to produce carbonyl metaloxides, (O2)Cu(CO)n (n = 1, 2), (η-OO)MCO (M = Ag, Au), OCAuO2CO, and OAuCO, as well as group11 metal carbonyls and oxides. These carbonyl metal oxides are characterized using infrared spectroscopy onthe basis of the results of the isotopic substitution and the CO concentration change. Density functional theory(DFT) calculations have been performed on these molecules. The identifications of these carbonyl metaloxides are confirmed by the good agreement between the experimental and calculated vibrational frequencies,relative absorption intensities, and isotopic shifts. Carbon dioxide is eliminated from these carbonyl metaloxides upon UV irradiation, providing the evidence for the oxidation of carbon monoxide on group 11 metalatoms. The present experiments also reveal that the reactivity of copper toward CO is prior to O2, and thereactivity of silver toward O2 is prior to CO, whereas the reactivity of gold toward CO is comparable to O2.
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