Effect of macrocycle deformation and electronic effects of substituents on the stability of zinc-5,15-di(o-nitrophenyl)octaalkylporphyrin molecular complexes |
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| Authors: | Zaitseva S V Zdanovich S A Koifman O I |
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| Institution: | (1) Institute of Chemistry of Solutions, Russian Academy of Sciences, ul. Akademicheskaya 1, Ivanovo, 153045, Russia;(2) Ivanovo State Chemical Technological University, Ivanovo, Russia |
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| Abstract: | The process of intermolecular interaction of zinc-5,15-di(o-nitrophenyl)-octaalkylporphyrin with nitrogen-containing bases of various sturctures was studied using the method of absorption spectroscopy. A dependence of stability of axial zinc-porphyrin complex on electronic effects of nitro groups and basic properties of extra ligand is revealed. By quantum-chemical PM3 method geometric structure and energetic characteristics of optimized molecules of zinc-porphyrin and its axial complexes was calculated. The influence of conformational effects of the porphyrin ligands on the strength of σ-bond of zinc with nitrogen atom of the nitrogen base (Zn-NL) was revealed. It was established that the formation of the Zn-NL bond proceeded with the change in the type and degree of deformation of the macrocycle in the molecular complex. Correlations between the calculated values of energy of Zn-NL bond and stability of the axial complexes were found. |
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