Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 10(19), p. 6969-6972
DOI: 10.1039/c6cp08610a
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Non-covalent π–π stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions
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Abstract
Stacked transition states correspond to a PCET mechanism, albeit ground and first-excited states are separated by more than 20 kcal mol−1. The latter is usually attributed to HAT.