Calculating the Gibbs Energy of Solvation of Pyridine in Nonaqueous Solvents

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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.

Sobre autores

I. Kuz’mina

Ivanovo State University of Chemistry and Technology

Email: mariia.a.kovanova@gmail.com
153000, Ivanovo, Russia

M. Kovanova

Ivanovo State University of Chemistry and Technology

Email: mariia.a.kovanova@gmail.com
153000, Ivanovo, Russia

S. Perova

Ivanovo State University of Chemistry and Technology

Autor responsável pela correspondência
Email: mariia.a.kovanova@gmail.com
153000, Ivanovo, Russia

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Declaração de direitos autorais © И.А. Кузьмина, М.А. Кованова, С.О. Перова, 2023