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On the Mechanism of Rhodium-Catalyzed [6+2] Cycloaddition of 2-Vinylcylobutanones and Alknenes
Published: 30 November 2007 by MDPI in The 11th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry
Abstract: The intramolecular [6+2] cycloaddition mechanism of 2vinylcyclobutanones and alkenes catalyzed by the [Rh(CO)2Cl]2 dimer has been studied using density functional theory, comparing this multistep process with the onestep reaction in absence of catalyst. This possible mechanism agrees with what was previously experimentally suggested. Calculations have also allowed to explain the selectivity of the reaction.