Scheme 6.

Results of quantum‐chemical calculations (DFT/TPSSh/def2‐TZVP) for the direct electrolysis of 1 a. Optimized intermediates are shown according to the proposed mechanism (Scheme 4). Spin densities are represented in orange isosurfaces. The contribution to the total charge deviation compared to 1 a is shown for the phenyl (green), cyclopropyl (blue) and the methyl ester (red) parts (contribution of added dioxygen shown in gray). Change in enthalpy and activation energies for each reaction step is given in the table.