Synthesis, DFT Calculations, Photophysical, Photochemical Properties of Peripherally Metallophthalocyanines Bearing (2-(Benzo[d] [1,3] Dioxol-5-Ylmethoxy) Phenoxy) Substituents

4-(2-(benzo[d] [1,3] dioxol-5-ylmethoxy) phenoxy) phthalonitrile was first prepared as a starting material. Then, this new derivative reacted with Zn and Co salts to obtain phthalocyanine complexes. Phthalocyanine complexes were evaluated by fluorescence emission, extinction, absorption measurements. Aggregation studies show compliance the lambert-beer law in concentration range studied for peripheral compounds. The density functional theory calculations of metallophthalocyanines compounds performed using B3LYP method- LanL2DZ basis set derive structural optimization, HOMO-LUMO energy parameters, nonlinear Optical properties. calculated values different center atoms obtained close each other. Molecular electronic surface maps are mapped discussed. gaps our around 2.1 eV. docking phthalonitrile.