Synthesis, Spectroscopic Properties, and DFT Calculations of Imine-Bridged meso–meso- and β-meso-Linked Porphyrin–Corrole Dyads

The first imine-bridged meso–meso- and β-meso-linked porphyrin–corrole dyads were prepared, and their photophysical properties were investigated by UV/Vis and fluorescence spectroscopy. To gain more insights into the geometric structures and the frontier molecular orbitals of the newly synthesized structures, DFT calculations at the B3LYP/6-311G(d,p) level in the gas phase and with toluene as the solvent were performed. The theoretical results indicate that the imine-bridged dyads possess well-defined charge separation between the porphyrin and corrole moieties; therefore, intramolecular electron transfer from the corrole to the porphyrin ring is favoured.