Email this article Calculating the Gibbs Energy of Solvation of Pyridine in Nonaqueous Solvents
- Authors: Kuz’mina I.A.1, Kovanova M.A.1, Perova S.O.1
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Affiliations:
- Ivanovo State University of Chemistry and Technology
- Issue: Vol 97, No 8 (2023)
- Pages: 1084-1086
- Section: ХИМИЧЕСКАЯ ТЕРМОДИНАМИКА И ТЕРМОХИМИЯ
- URL: https://journals.rcsi.science/0044-4537/article/view/136647
- DOI: https://doi.org/10.31857/S0044453723080125
- EDN: https://elibrary.ru/QVEWGX
- ID: 136647
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Abstract
Gibbs energies of the solvation of pyridine (Py) in methanol, acetonitrile, and N,N-dimethylformamide are calculated via quantum chemical modeling. Contributions from universal and specific types of interaction between the Py and solvent molecules to the change in the Gibbs energies of solvation of the aromatic heterocycle are determined when alcohol is replaced with aprotic solvents.
About the authors
I. A. Kuz’mina
Ivanovo State University of Chemistry and Technology
Email: mariia.a.kovanova@gmail.com
153000, Ivanovo, Russia
M. A. Kovanova
Ivanovo State University of Chemistry and Technology
Email: mariia.a.kovanova@gmail.com
153000, Ivanovo, Russia
S. O. Perova
Ivanovo State University of Chemistry and Technology
Author for correspondence.
Email: mariia.a.kovanova@gmail.com
153000, Ivanovo, Russia
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