A unified perspective on the hydrogen atom transfer and proton-coupled electron transfer mechanisms in terms of topographic features of the ground and excited potential energy surfaces as exemplified by the reaction between phenol and radicals

The multiconfigurational electronic structure calculations are employed to study the relation between the hydrogen atom transfer (HAT) and proton-coupled electron transfer (PCET) mechanisms. The conical intersection seam is shown to be a major topographical feature, which affects the reaction between phenol and radicals.