title: Non-covalent π-π stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions.
abstract: π-π 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 π delocalized moieties, while the H+is transferred between the donor and acceptor atoms.
authors.affiliation: Facultad de Química, Departamento de Física y Química Teórica, Universidad Nacional Autónoma de México, México DF 04510, Mexico. jidaboy@unam.mx.
authors.forename: Leonardo
authors.initials: L
authors.lastname: Muñoz-Rugeles
authors.affiliation: Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina. Iztapalapa. C. P. 09340, México D. F., Mexico.
authors.forename: Annia
authors.identifier: http://orcid.org/0000-0002-1470-3060
authors.initials: A
authors.lastname: Galano
authors.affiliation: Facultad de Química, Departamento de Física y Química Teórica, Universidad Nacional Autónoma de México, México DF 04510, Mexico. jidaboy@unam.mx.
authors.forename: J
authors.identifier: http://orcid.org/0000-0002-2901-5412
authors.initials: J
authors.lastname: Raúl Alvarez-Idaboy