Research Article
Proton-Coupled Electron Transfer in the Reaction of 3,4-Dihydroxyphenylpyruvic Acid with Reactive Species in Various Media
Figure 7
SOMO distribution on the equilibrium structure of the supermolecule resulting from the reaction of 3,4-DHPPA with radical: a B3lyp/6-31+G(d). SOMO is entirely delocalized on the phenoxyl moiety, suggesting hydrogen atom transform from the acid to the radical.