EventsThe 11th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-11-01369
This submission belongs to the session g. Computational Chemistry of the event The 11th International Electronic Conference on Synthetic Organic Chemistry
Published date
30 Nov, 2007
Citation
Jesús  Rodríguez­Otero, Enrique  M.  Cabaleiro­Lago, M. Merced  Montero­Campillo, On the Mechanism of Rhodium-Catalyzed [6+2] Cycloaddition of 2-Vinylcylobutanones and Alknenes, in Proceedings of The 11th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2007, MDPI: Basel, Switzerland, 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
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)
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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