Self-assembled via axial coordination magnesium porphyrin-imidazole appended fullerene dyad: Spectroscopic, electrochemical, computational, and photochemical studies

The investigation of spectroscopic, redox, and electron transfer reaction of a self-assembled donor-acceptor dyad, formed by axial coordination of magnesium meso-tetraphenylporphyrin (MgTPP) and fulleropyrrolidine with an imidazole coordinating ligand (C ₆₀Im), was discussed. The geometric and electronic structures of the dyads were probed. The majority of the highest occupied frontier molecular orbital (HOMO) was found to be located on the MgTPP entity, while the lowest unoccupied frontier molecular orbital (LUMO) was found to be on the fullerene entity. Redox titrations involving MgTPP and C ₆₀Im allowed accurate determination of the oxidation and reduction potentials of the donor and acceptor entities in supramolecular complex.