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Irradiation of Imine−Group VI Carbene Complexes in the Presence of Alkynes:  A Theoretical and Experimental Study

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posted on 09.05.2003, 00:00 by Pedro J. Campos, Diego Sampedro, Miguel A. Rodríguez
The photoreaction between imine-substituted Fischer carbene complexes and alkynes is studied at both experimental and theoretical levels. 2H-Pyrrole derivatives are easily obtained as main products in moderate to good yields, with complete control of the regiochemistry. High-level theoretical calculations are carried out in order to explore and fully understand the reaction pathway. On the basis of the theoretical results, a mechanism that accounts for the experimental findings is proposed.