Synthesis and characterization of novel propylphenoxy-octasubstituted phthalocyanines: photochemical and structural insights into group 3A metal complexes

• A novel phthalonitrile ligand with 4-propylphenol groups was synthesized;. • metal-free, Al(III), Ga(III) and In(III) phthalocyanine compounds were synthesized;. • photochemical properties of the synthesized phthalocyanines were investigated. • molecular structure of the synthesized phthalocyanines was investigated by DFT calculations. This study reports the synthesis and characterization of a novel octa 4-propylphenoxy substituted phthalocyanine and its complexes with Al(III), Ga(III), and In(III). The compounds were purified and extensively characterized using a range of advanced physicochemical techniques, including ATR-FTIR spectroscopy, mass spectrometry (MALDI-TOF), 1 H NMR, and UV–Vis spectroscopy. We investigated the influence of the metal ions and peripheral substituents on the spectral and structural properties of the synthesized compounds. The experimental findings were compared with modern theoretical predictions derived from density functional theory (DFT) calculations. This comprehensive study enhances our understanding of the relationship between molecular structure and properties in phthalocyanine complexes, paving the way for potential applications in various fields such as materials science and organic electronics.