Issue 5, 2013

Theory of the transition from sequential to concerted electrochemical proton–electron transfer

Abstract

A theory for the calculation of potential energy surfaces of electrochemical proton-coupled electron transfer is considered and parameterized on the basis of thermodynamic relations. The paper discusses the qualitatively different potential energy surfaces predicted by the theory, and their relation to the existence of sequential and concerted protonelectron transfer pathways. The concomitant activation energies for sequential and concerted PET are calculated. The applied overpotential may change the qualitative shape of the PES and therefore the mechanism of the proton-coupled electron transfer reaction.

Graphical abstract: Theory of the transition from sequential to concerted electrochemical proton–electron transfer

Article information

Article type
Paper
Submitted
12 Jul 2012
Accepted
03 Sep 2012
First published
04 Sep 2012

Phys. Chem. Chem. Phys., 2013,15, 1399-1407

Theory of the transition from sequential to concerted electrochemical protonelectron transfer

M. T. M. Koper, Phys. Chem. Chem. Phys., 2013, 15, 1399 DOI: 10.1039/C2CP42369C

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