In this research, different donor and acceptor substitutions were employed in attachment with porphyrin molecule and the optical properties improvement of it was studied. It was shown that the substituted porphyrin formation from hypothetical reagents was very exothermic. It was determined that all substituted porphyrin had lower value energy gap (Eg) in comparison to pristine porphyrin. The study of optical properties of substitutions showed that the substituents significantly improved the optical response of porphyrin. It was demonstrated that the superior optical properties obtained when highly electron donor substitutions such as NHLi and OLi was attached to the porphyrin molecule which corresponds to higher values of dipole moments. In addition, it was shown that the type of electron acceptor groups in the push-pull system had a slight effect on porphyrin's optical properties.
