Theoretical Study of the Association of Aryl Derivatives of Lactic Acid
https://doi.org/10.26907/2542-064X.2023.1.49-57
Abstract
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.
About the Authors
D. P. Gerasimova
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences
Russian Federation
Russian Federation
Kazan, 420088
L. V. Frantsuzova
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences
Russian Federation
Russian Federation
Kazan, 420088
R. R. Fayzullin
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences
Russian Federation
Russian Federation
Kazan, 420088
O. A. Lodochnikova
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences
Russian Federation
Russian Federation
Kazan, 420088
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Review
For citations:
Gerasimova D.P., Frantsuzova L.V., Fayzullin R.R., Lodochnikova O.A. Theoretical Study of the Association of Aryl Derivatives of Lactic Acid. Uchenye Zapiski Kazanskogo Universiteta Seriya Estestvennye Nauki. 2023;165(1):49–57. (In Russ.) https://doi.org/10.26907/2542-064X.2023.1.49-57
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