Table 1. Summary of the Calculated Energies for Modeled Porphyrin Aggregate Structures.

catalyst	aggregate binding energya (eV)	HOMO–LUMO gap shift (eV)
FeDiPP	–0.838	–0.090
FeTriPP	–1.035	–0.096
FeTetraPP	–1.099	–0.054

^aAggregate binding energy per molecule.