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Статья
2020

Interaction between meso-Phenyl-Substituted Porphirinioids and Carboxylic Acids, and a Thermal Analysis of Their Cationic Salts


A. E. LikhoninaA. E. Likhonina, M. A. Krest’yaninovM. A. Krest’yaninov, F. K. MorshnevF. K. Morshnev, E. L. KritskiiE. L. Kritskii, T. V. KudayarovaT. V. Kudayarova, D. B. BerezinD. B. Berezin
Российский журнал физической химии А
https://doi.org/10.1134/S0036024420010185
Abstract / Full Text

Thermogravimetry and quantum chemistry, including NBO analysis, are used to study the thermal stability and NH acidity of single and double protonated forms of tetrapyrrole macroheterocyclic ligands (porphyrins, their inverted and N-substituted analogs, and corroles). The temperature ranges of the destruction of porphyrinium acetates and trifluoroacetates, the enthalpies of evaporation of acid molecules from the crystalline phase, and the composition of cationic salts are calculated. The structures of protonated forms of macrocycles are optimized. The energies of porphyrin–acid interaction and the values of charge transfer ​​during the formation of bonds are calculated.

Author information
  • Research Institute of Macroheterocyclic Compounds, Ivanovo State University of Chemistry and Technology, 153000, Ivanovo, RussiaA. E. Likhonina, F. K. Morshnev, E. L. Kritskii, T. V. Kudayarova & D. B. Berezin
  • Krestov Institute of Solution Chemistry, Russian Academy of Sciences, 153045, Ivanovo, RussiaM. A. Krest’yaninov
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