PROTON-ELECTRON TRANSFER: A KEY TO UNDERSTANDING COMPLEX REACTION MECHANISMS

摘要

The coupled movement of protons and electrons-so-called "proton-coupled electron transfer" (PCET)-is an important mechanism in a large number of chemical and biochemical reactions. Such PCET reactions play essential roles in biological processes, such as photosynthesis and respiration, and in solar cells, hydrogen production, and other energy devices. Sharon Hammes-Schiffer, in her recent JACS Perspective, illustrates the fundamental theoretical concepts and physical principles of PCET (DOI: 10.1021/jacs.5b04087). She also describes examples of more complex PCET reactions for which theoretical calculations and computer simulations applying these concepts and principles, combined with experimental approaches, have led to a better understanding of the mechanisms.