Quantum chemical calculation of phthalocyanine and crown ethers of aluminum chloride complexes with crown and phthalocyanine ligands

The work is devoted to the quantum chemical calculation of the structure and electronic properties of complex organic molecules, metal complexes with crown and phthalocyanine ligands. The calculation was carried out using the modified diatomic differential overlap approximation method with complete geometry optimization. Based on calculations, it was shown that complexation with the participation of tetracrown-substituted phthalocyanine does not lead to a change in the electronic structure of the crown ether and does not modify its complexing properties.