S. Pukhovskaya, Y. Ivanova, A. N. Kiselev
Apr 9, 2021
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Influential Citations
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Journal
Journal of Molecular Structure
Abstract
Abstract The synthesis of 5,10,15,20-tetrakis [4 '- (benzoxazol-2-yl) phenyl] -21,23-dithiaporphyrin was carried out by the reaction of metal complex catalysis. In this work, quantum chemical calculations were performed in the DFT approximation (hybrid functional B3LYP) with a set of 6-21G basis functions. The resulting compound was identified by electron absorption, 1H NMR spectroscopy and mass spectrometry. The basic properties of heterosubstituted ligand in comparison with the classical porphyrin analogue and unsubstituted TPP were studied by the spectrophotometric titration method in an acetonitrile - perchloric acid system. The basicity constants for the first and second steps and the ranges of existence of the protonated forms of 5,10,15,20-tetrakis [4 '- (benzoxazol-2-yl) phenyl] -21,23-dithiaporphyrin and its classical analog were determined.