Theoretical formulation for electron transfer coupled to multiple protons: Application to amidinium-carboxylate interfaces

A theoretical formulation for electron transfer reaction coupled to the motion of multiple protons was presented using the multistate continuum theory. The possible proton transfer reactions at the amidinium-carboxylate interfaces was also analyzed for calculating gas phase properties. The rate for the donor-(amidinium-carboxylate)-acceptor systems was found to be slower than for the interface donor-(carboxylate-amidinium)-acceptor system. The results showed consistency with the experimental data for photoinduced proton-coupled electron transfer (PCET) in analogous systems.