Chapter 2: A Transition-State Perspective of Proton-Coupled Electron Transfers
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Published:06 Dec 2011
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Special Collection: 2011 ebook collection , 2011 ebook collection , 2011-2015 physical chemistry subject collectionSeries: Catalysis Series
L. G. Arnaut, in Proton-Coupled Electron Transfer: A Carrefour of Chemical Reactivity Traditions, ed. S. Formosinho and M. Barroso, The Royal Society of Chemistry, 2011, ch. 2, pp. 32-56.
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Proton-coupled electron transfers (PCET) are emerging as an important new class of reactions. However, experimental and theoretical criteria to distinguish between these and other classes of reactions (H-atom transfers, sequential PT-ET) remain open to discussion. We punctuate the search for such criteria with simple paradigmatic examples of reactions in the gas phase and in solution. Furthermore, we use the Interacting-State Model to assess the roles of H-bonding, tunnelling, adiabaticity and electronic parameters in PCET. Finally, we introduce guidelines that may help to design productive experiments involving PCET.