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Spectral and Quantum-Chemical Study of Basicity of Phenyl-Substituted Porphyrinoids

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Abstract

The electronic absorption spectra of cationic forms of porphyrinoids in acetonitrile or benzene with the addition of acetic or trifluoroacetic acid have been studied and the values of the acid-base interaction constants have been calculated. The order of changes in the basicity of the studied compounds obtained from spectrophotometric, quantum-chemical (DFT, B3LYP, and CC-pVDZ using NBO analysis), and thermodynamic data have been consistent.

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Notes

  1. Except for compound 3, the discussed simulations have been performed elsewhere [23].

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Funding

This study was performed using the equipment of the Center for Collective Usage, Ivanovo State University of Chemical Technology.

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Authors and Affiliations

  1. Ivanovo State University of Chemical Technology, Research Institute of Macroheterocyclic Compounds, 153000, Ivanovo, Russia

    D. B. Berezin, A. E. Likhonina, O. V. Shukhto, D. R. Karimov & I. N. Serov

  2. G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia

    М. А. Krest’yaninov

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  1. D. B. Berezin
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  2. A. E. Likhonina
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Berezin, D.B., Likhonina, A.E., Shukhto, O.V. et al. Spectral and Quantum-Chemical Study of Basicity of Phenyl-Substituted Porphyrinoids. Russ J Gen Chem 90, 977–986 (2020). https://doi.org/10.1134/S1070363220060079

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