Density functional theory study of ruthenium (II)-catalyzed [2+2+2] cycloaddition of 1,6-diynes with tricarbonyl compounds.
Density functional theory has been employed to study the mechanism of the [2+2+2] ruthenium(II)-catalyzed cycloaddition between 1,6-diynes and tricarbonyl compounds, proposing a viable multistep-pathway according with that was previously suggested, but clarifying some aspects. This process is compared with the one-step reaction in absence of catalyst.
Rodríguez-Otero
Jesús
J
Departamento de Quimica Fisica, Facultade de Quimica, Universidade de Santiago de Compostela, Avenida das Ciencias s/n, 15782 Santiago de Compostela, Galicia, Spain. qftjesus@usc.es
Montero-Campillo
M Merced
MM
Cabaleiro-Lago
Enrique M
EM