Long-range electron and charge transfers in peptide bridging phthalimide and methyl aminoacetate radical systems: Super-exchange and hopping mechanisms

Diabatic potential energy profiles and ET mechanisms forpa--(gly)n=3-aa→pa-(gly)n=3-aa-andpa-(gly)n=3-aa-→pa--(gly)n=3-aawhere the (gly)n=3 in β-strand conformation. Curves P (or p′), B, B1, B2, B3 and S refer to the pa−-(gly)n=3-aa, pa-(gly)n=3--aa, pa-(gly)−-(gly)n=2-aa, pa-(gly)-(gly)−-(gly)-aa, pa-(gly)n=2-(gly)−-aa and pa-(gly)n=3-aa− states, respectively.