Fig. 3.
Different patterns for cleaving the Cα-Cβ bond of L-Trp neutral radical 11. The DFT calculation-based, relative free energies (including solvent effect ΔGsol) are in kcal/mol. In Path 1 and Path 2 the energy of 16 + 17 is used as the reference zero energy, whereas in Path 3 the energy of 16 + 20 is used as the reference.