Figure 5.

Schematic representation of the bonding interaction and the energy evolution of the individual diabatic states and the global adiabatic state associated with the protonation of (a) H₂NOH and (b) H₂NSH. The actual site of protonation is indicated by the respective products at the bottom of each energy profile. Note that the profile associated with Φ_ion,2 is not depicted in this figure due to the significant energy distance between this profile and those associated with Φ_ion,1 and Φ_HL, respectively. Spin-pairing stabilization energies upon bond formation are depicted in italics in blue; resonance energies are shown in magenta. Weights of the individual structures in the adiabatic wave function at the optimal bonding distance are shown at the bottom of each panel.