Figure 3.

DFT-computed pathways for B(C₆F₅)₃-catalyzed N₂ release of 2-diazo-1,2-diphenylmethane-1-one (12), followed by Wolff rearrangement and [4 + 2] cyclization. The relative free energies are given in kcal/mol. The selected distances (Å) are annotated in brown, and the angle is shown in green.