[Visualization by S. Oevers using SPARTAN 5.1.] While the geometry, and particularly the metal-carbon distances, would suggest an eta-4 metal-ring interaction, the plotted electron density clearly shows that the interaction is best described as eta-2. If the reaction is carried out in methanol or a similar solvent, coordination of solvent molecules dramatrically lowers the C-H activation barrier and leads to a competition between closed-arm and open-arm C-H activation products. Upon evaporation, a closed-arm C-C activation product is obtained exclusively.

This file was last modified on Saturday, 16-Feb-2002 18:39:59 IST.