Abstract
AbstractAccording to state‐of‐the‐art computations, in conjunction with mass‐spectrometric experiments, both the Au+‐mediated, thermal coupling of a methylene ligand with molecular hydrogen as well as the activation of methane by atomic Au+ proceed through well‐defined intermediates. The crucial transition state in the [Au(CH2)]+/H2 ⇌ [Au(CH4)]+ conversion is, in many ways, reminiscent of the isolobal, thoroughly studied [CH3]+/H2 ⇌ [CH5]+ system. The previously suggested direct mechanism, according to which the Lewis acidity of Au+ alone accounts for the unusual behavior of the Au+/CH4 couple, has been modified.
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