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This article is cited in 1 scientific paper (total in 3 paper)
Physics
Model potentials of intermolecular interaction pyridine, skatole and pyrrole with water
G. N. Tena, D. M. Kadrova, V. I. Baranovb a Saratov State University
b Vernadsky Institute of geochemistry and analytical chemistry RAS
Abstract:
The calculations of the lengths of hydrogen bridge and frequencies of vibrations of bonds in the formation of hydrogen bonds skatole, pyridine and pyrrole with the water molecules in the approximation of B3LYP/6-31G(d,p). The calculations of model potentials of intermolecular interaction of the molecules on the basis of formulas Lennard–Jones and Morse, allowed to account for changes in the length of hydrogen bonds depending on the number of water molecules participating in the formation of complexes. Built potential curves characterizing the hydrophilic and hydrophobic properties skatole, pyridine, pyrrole, and their solubility in water.
Keywords:
skatole, pyridine, pyrrol, model potential, hydrogen bond, hydrophilic, hydro-phobic.
Citation:
G. N. Ten, D. M. Kadrov, V. I. Baranov, “Model potentials of intermolecular interaction pyridine, skatole and pyrrole with water”, Izv. Sarat. Univ. Physics, 14:1 (2014), 5–11
Linking options:
https://www.mathnet.ru/eng/isuph186 https://www.mathnet.ru/eng/isuph/v14/i1/p5
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Abstract page: | 25 | References: | 5 |
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