On the Mechanism of Rhodium-Catalyzed [6+2] Cycloaddition of 2-Vinylcylobutanones and Alknenes

M. Montero­Campillo; Enrique  Cabaleiro­Lago; Jesús  Rodríguez­Otero

doi:10.3390/ecsoc-11-01369

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On the Mechanism of Rhodium-Catalyzed [6+2] Cycloaddition of 2-Vinylcylobutanones and Alknenes

M. Merced MonteroCampillo

^{*

1},

Enrique M. CabaleiroLago

²,

Jesús RodríguezOtero

¹ Dpto. de Química Física, F. de Química, Universidade de Santiago de Compostela Avda. das Ciencias s/n, 15782 Santiago de Compostela (Spain)
² Dpto. de Química Física, F. de Ciencias, Universidade de Santiago de Compostela Campus de Lugo, Avda. Alfonso X El Sabio s/n, 27002 Lugo (Spain)

Published: 30 November 2007 by MDPI in The 11th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry

https://doi.org/10.3390/ecsoc-11-01369

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.

Keywords: n/a

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