Publication | Closed Access
Diatomic [CuO]<sup>+</sup> and Its Role in the Spin‐Selective Hydrogen‐ and Oxygen‐Atom Transfers in the Thermal Activation of Methane
167
Citations
65
References
2011
Year
EngineeringTheoretical Inorganic ChemistryMethanolSpin‐selective Hydrogen‐ChemistryChemical EngineeringThermal CatalysisInorganic ChemistryOxygen‐atom TransfersIntriguing PuzzlePhysicsPhysical ChemistryCatalysisQuantum ChemistryHydrogenCatalytic ProcessCatalytic SynthesisGas PhaseNatural SciencesMass SpectrometryThermal ActivationHeterogeneous CatalysisChemical Kinetics
The final piece in an intriguing puzzle: More than ten years after its theoretical prediction to serve as a powerful converter of methane to methanol, the bare [CuO]+ cation has been successfully generated in the gas phase. A combination of mass spectrometry and DFT calculations revealed the crucial role of two-state reactivity and oxygen-centered radicals in the selectivity in the oxidation of methane.
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