ABSTRACT
Porphycene is a constitutional isomer of porphyrin that has attracted strong interest because of its versatile medicinal use such as its use in the photodynamic therapy, which is a promising treatment for cancer. The chemistry of porphycene is interesting because of its biological significance. The aromatic macromolecule porphycene has been the object of physicochemical research for years. Porphycene exhibits high fluorescence yields, which can be used for tumor detection [1].The compound possesses strong intramolecular hydrogen bonds and it undergoes rapid tautomerization. The compound and its derivatives show strong absorptions in the red region of the UV-vis spectrum. These unique physical and optical properties of the compounds have made them suitable for use in biomedical applications and in the design of new materials. They are mainly used for photodynamic therapy, which is a promising treatment for cancer. This theoretical study was designed to provide more detailed information on the various binding sites of the porphycene.
