Proton-Coupled Electron Transfer in the Reaction of 3,4-Dihydroxyphenylpyruvic Acid with Reactive Species in Various Media
Reaction free energies evaluating the possibility of the mechanism PT-ET in the reaction of 3,4-DHPPA with in different media. These RFEs are calculated as the sum of partial reaction free energies of the following reactions: , . ROH stands for 3,4-DHPPA, while stands for its deprotonated structure. 3-OH, 4-OH, and 8-OH denote the cleavage sites related, respectively, to the protons , , and of 3,4-DHPPA.