Theoretical Study of the Association of Aryl Derivatives of Lactic Acid
Autor: | D. P. Gerasimova, L. V. Frantsuzova, R. R. Fayzullin, O. A. Lodochnikova |
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Jazyk: | English<br />Russian |
Rok vydání: | 2023 |
Předmět: | |
Zdroj: | Učënye Zapiski Kazanskogo Universiteta. Seriâ Estestvennye Nauki, Vol 165, Iss 1 (2023) |
Druh dokumentu: | article |
ISSN: | 2542-064X 2500-218X 14354748 |
DOI: | 10.26907/2542-064X.2023.1.49-57 |
Popis: | A theoretical study of the association of phenyl and ortho-substituted aryl derivatives of lactic acid was carried out. Two variants of hydrogen-bonded associates in the gas phase were calculated: nonclassical, actually found in the crystals, and simulated classical dimers. The energy advantage of classical dimers and the non-equivalence of diastereotopic electron lone pairs at the carbonyl oxygen atom were shown. |
Databáze: | Directory of Open Access Journals |
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