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Theoretical Study of the [2+2+2+1] Cycloaddition Mechanism of Enediynes and Carbon Monoxide Catalyzed by Rhodium
journal contribution
posted on 2008-03-20, 00:00 authored by M. Merced Montero-Campillo, Jesús Rodríguez-Otero, Enrique Cabaleiro-LagoThe [2+2+2+1] cycloaddition mechanism of enediynes and carbon monoxide catalyzed by the [Rh(CO)2Cl]2
rhodium dimer has been studied using density functional theory, comparing this multistep process with the
two-step reaction in the absence of a catalyst. According to our results, the multistep mechanism agrees with
that previously suggested. The great selectivity of this reaction and the influence of the chosen solvent in this
selectivity were also analyzed.