Density functional theory study of ruthenium (II)-catalyzed [2+2+2] cycloaddition of 1,6-diynes with tricarbonyl compounds |
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| Authors: | Rodríguez-Otero Jesús Montero-Campillo M Merced Cabaleiro-Lago Enrique M |
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| Affiliation: | 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 |
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| Abstract: | 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. |
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