Theoretical modeling of electrochemical proton-coupled electron transfer

RE Warburton, AV Soudackov… - Chemical …, 2022‏ - ACS Publications
Proton-coupled electron transfer (PCET) plays an essential role in a wide range of
electrocatalytic processes. A vast array of theoretical and computational methods have been …

Dioxygen in polyoxometalate mediated reactions

IA Weinstock, RE Schreiber, R Neumann - Chemical reviews, 2017‏ - ACS Publications
In this review article, we consider the use of molecular oxygen in reactions mediated by
polyoxometalates. Polyoxometalates are anionic metal oxide clusters of a variety of …

Proton-coupled electron transfer: Moving together and charging forward

S Hammes-Schiffer - Journal of the American Chemical Society, 2015‏ - ACS Publications
Proton-coupled electron transfer (PCET) is ubiquitous throughout chemistry and biology.
This Perspective discusses recent advances and current challenges in the field of PCET …

Proton-coupled electron transfer

DR Weinberg, CJ Gagliardi, JF Hull, CF Murphy… - Chemical …, 2012‏ - ACS Publications
An initial review (PCET1) on proton-coupled electron transfer (PCET) by Huynh and Meyer
appeared in Chemical Reviews in 2007.(1) This is a follow-up on the original. It was …

Theory of coupled electron and proton transfer reactions

S Hammes-Schiffer, AA Stuchebrukhov - Chemical reviews, 2010‏ - ACS Publications
Coupled electron and proton transfer reactions play a key role in the mechanisms of
biological energy transduction. 1-3 Such reactions are also fundamental for artificial …

Proton-coupled electron transfer

MHV Huynh, TJ Meyer - Chemical reviews, 2007‏ - ACS Publications
At the core of many important energy conversion processes in chemistry and biology are
oxidation-reduction reactions in which both electrons and protons are transferred. An …

Electrochemistry of redox-active self-assembled monolayers

AL Eckermann, DJ Feld, JA Shaw, TJ Meade - Coordination chemistry …, 2010‏ - Elsevier
Redox-active self-assembled monolayers (SAMs) provide an excellent platform for
investigating electron transfer kinetics. Using a well-defined bridge, a redox center can be …

Diradical generation via relayed proton-coupled electron transfer

Q Shi, Z Pei, J Song, SJ Li, D Wei… - Journal of the …, 2022‏ - ACS Publications
Diradical generation followed by radical–radical cross-coupling is a powerful synthetic tool,
but its detailed mechanism has yet to be established. Herein, we proposed and confirmed a …

Proton-coupled electron transfer in solution, proteins, and electrochemistry

S Hammes-Schiffer, AV Soudackov - The Journal of Physical …, 2008‏ - ACS Publications
Recent advances in the theoretical treatment of proton-coupled electron transfer (PCET)
reactions are reviewed. These reactions play an important role in a wide range of biological …

Hydrogen tunneling in enzymes and biomimetic models

JP Layfield, S Hammes-Schiffer - Chemical reviews, 2014‏ - ACS Publications
Hydrogen transfer reactions play an important role throughout chemistry and biology. In
general, hydrogen transfer reactions encompass proton and hydride transfer, which are …