title: An alternative mechanism to explain the ruthenium(II)-catalyzed [2 + 2 + 2] cycloaddition of 1,6-diynes and tricarbonyl compounds.
abstract: Density functional theory has been used to study an alternative mechanism for the ruthenium(II)-catalyzed [2 + 2 + 2] cycloaddition between 1,6-diynes and tricarbonyl compounds, proposing a multistep-pathway different from that which we previously reported. The dimerization mechanism to obtain the minority product of the reaction has also been studied in order to analyze the selectivity of this cycloaddition.
authors.affiliation: Departamento de Química Física, Facultade de Química, Universidade de Santiago de Compostela, Avda. das Ciencias s/n, 15782 Santiago de Compostela, Galicia, Spain.
authors.forename: M Merced
authors.initials: MM
authors.lastname: Montero-Campillo
authors.forename: Jesús
authors.initials: J
authors.lastname: Rodríguez-Otero
authors.forename: Enrique M
authors.initials: EM
authors.lastname: Cabaleiro-Lago