Proton-Coupled Electron Transfer Reactions: A Theoretical Approach

Proton-coupled electron transfer (pcet) is an important mechanism for charge transfer in biology. In a pcet reaction,the electron and proton may transfer consecutively (et/pt or pt/et) or concertedly (etpt). These mechanisms are analyze and expressions for their rates presented. Features that lead to dominance of one mechanism over another are outlined. Dissociative etpt is also discussed, as well as a new mechanism for highly exergonic proton transfer.