title: Activation of Aromatic C-C Bonds of 2,2'-Bipyridine Ligands.
abstract: 4,4'-Disubstituted-2,2'-bipyridine ligands coordinated to MoIIand ReIcationic fragments become dearomatized by an intramolecular nucleophilic attack from a deprotonated N-alkylimidazole ligand in cis disposition. The subsequent protonation of these neutral complexes takes place on a pyridine carbon atom rather than at nitrogen, weakening an aromatic C-C bond and affording a dihydropyridyl moiety. Computational calculations allowed for the rationalization of the formation of the experimentally obtained products over other plausible alternatives.
authors.affiliation: Departamento de Química Orgánica e Inorgánica, Universidad de Oviedo, C/Julián Clavería, 8., 33006, Oviedo, Spain.
authors.forename: Sergio
authors.identifier: http://orcid.org/0000-0001-5046-6982
authors.initials: S
authors.lastname: Fombona
authors.affiliation: Departamento de Química Orgánica e Inorgánica, Universidad de Oviedo, C/Julián Clavería, 8., 33006, Oviedo, Spain.
authors.forename: Maialen
authors.initials: M
authors.lastname: Espinal-Viguri
authors.affiliation: Departamento de Química Orgánica e Inorgánica, Universidad de Oviedo, C/Julián Clavería, 8., 33006, Oviedo, Spain.
authors.forename: Miguel A
authors.identifier: http://orcid.org/0000-0002-5315-5642
authors.initials: MA
authors.lastname: Huertos
authors.affiliation: Departamento de Química Orgánica e Inorgánica, Universidad de Extremadura, Avda. de la Universidad s/n., 10071, Cáceres, Spain.
authors.forename: Jesús
authors.identifier: http://orcid.org/0000-0001-9955-7818
authors.initials: J
authors.lastname: Díaz
authors.affiliation: Departamento de Química Física y Analítica, Universidad de Oviedo, C/Julián Clavería, 8., 33006, Oviedo, Spain.
authors.forename: Ramón
authors.identifier: http://orcid.org/0000-0001-8899-705X
authors.initials: R
authors.lastname: López
authors.affiliation: Departamento de Química Física y Analítica, Universidad de Oviedo, C/Julián Clavería, 8., 33006, Oviedo, Spain.
authors.forename: M Isabel
authors.identifier: http://orcid.org/0000-0002-5062-4319
authors.initials: MI
authors.lastname: Menéndez
authors.affiliation: Centro de Investigación en Nanomateriales y Nanotecnología-CINN, CSIC-Universidad de Oviedo-Principado de Asturias, Avda. de la Vega, 4-6., 33940, El Entrego, Spain.|Departamento de Química Orgánica e Inorgánica, Universidad de Oviedo, C/Julián Clavería, 8., 33006, Oviedo, Spain.
authors.forename: Julio
authors.identifier: http://orcid.org/0000-0002-4788-2296
authors.initials: J
authors.lastname: Pérez
authors.affiliation: Centro de Investigación en Nanomateriales y Nanotecnología-CINN, CSIC-Universidad de Oviedo-Principado de Asturias, Avda. de la Vega, 4-6., 33940, El Entrego, Spain.
authors.forename: Lucía
authors.identifier: http://orcid.org/0000-0002-2753-9423
authors.initials: L
authors.lastname: Riera
keywords: C−C coupling; density functional calculations; molybdenum; pyridine activation; rhenium