4.6 Article

Non-covalent π-π stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 10, Pages 6969-6972

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp08610a

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Funding

  1. Direccion General de Servicios de Computo Academico (DGTIC) at Universidad Nacional Autonoma de Mexico
  2. DGAPA UNAM [PAPIIT-IN220215]
  3. CONACyT [270309]

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pi-pi stacking interactions do not necessarily change the mechanism involved in the H transfer reaction between phenol and phenoxyl radicals. We propose that, in such cases, the e(-) is transferred between the pi delocalized moieties, while the H+ is transferred between the donor and acceptor atoms.

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