Computational structural analysis for substituted nickel phthalocyanines preparation and characterization

Abstract

Hay synthesis of a novel series of symmetrically substituted nickel phthalocyanine derivatives, [(heterothio)(8)NiPcs] 4(a-e) bearing N-heterocycle moieties, i.e. Pyridine, Thiazoline, Imidazole, Tetrazole rings, was reported. Their novel heterocycle-thio phthalonitrile precursors 3(a-e) were synthesized by the aromatic nucleophilic substitution reaction of 4-nitrorophthalonitrile with N-heterocycle substituted thiols 2(a-e). The structure of the compounds was analyzed by the spectroscopic analysis tools. Besides, the powerful techniques of maximal wavelet discrete wavelet transformation together with boxplot clustering pointed out new aspects of the signals which cannot be detected by the spectroscopic analysis.