Thermal Activation of Methane by Diatomic Metal Oxide Radical Cations: PbO+⋅ as One of the Missing Pieces

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Abstract

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Missing in action: Based on the high computed hydrogen atom affinities and the oxygen-centered radical characters, group IVA metal monoxide radical cations are predicted to be the missing pieces in the thermal activation of methane, and combined experimental and computational studies show that the group IVA metal oxide PbO+⋅ is indeed capable of abstracting a hydrogen atom from methane at room temperature.

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