Density functional studies of thermal activation of methane by gas-phase [Pt(H)(OH)]+

► We studied the gas-phase activation of methane by [Pt(H)(OH)]+. ► The reaction occurs as a kinetically efficient process on the doublet ground surface. ► The overall reaction is endothermic by 3.0 kcal/mol. ► [Pt(H)(OH)]+ is less reactive than Pt+ to the activation of methane.