- AMER CHEMICAL SOC
The effect of Au atom addition to Rh on redox reactions was investigated by measuring the oxidation rate constants and threshold energies of the thermal reduction of gas-phase rhodium gold oxide clusters, RhnAumOk+ (n = 4-8; m = 0, 1, 2) and by density functional theory (DFT) calculation. The thermally stable clusters at similar to 800 K were found to be RhnAumOn+ regardless of m, suggesting that Au atoms are less or negatively involved in stabilization of the oxides. The DFT calculations on the stable Rh6AumO6+ clusters showed that Au atoms bind to Rh atoms, keeping O atoms away from the Au atoms. Electronically, the Au atoms reduced the natural charges of Rh and O atoms, forming superoxide, O. The Au atoms are considered to have an oxidation state of -1 in Rh6Au2O6+.
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