非共价π-π堆积相互作用抑制了质子耦合电子转移反应中的非绝热效应。
Non-covalent π-π stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions.
作者信息
Muñoz-Rugeles Leonardo, Galano Annia, Raúl Alvarez-Idaboy J
机构信息
Facultad de Química, Departamento de Física y Química Teórica, Universidad Nacional Autónoma de México, México DF 04510, Mexico.
Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina. Iztapalapa. C. P. 09340, México D. F., Mexico.
出版信息
Phys Chem Chem Phys. 2017 Mar 8;19(10):6969-6972. doi: 10.1039/c6cp08610a.
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.
π-π堆积相互作用不一定会改变苯酚与苯氧基自由基之间氢转移反应所涉及的机制。我们提出，在这种情况下，电子在π离域部分之间转移，而氢在供体和受体原子之间转移。
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