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

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.