Theoretical Study of the Association of Aryl Derivatives of Lactic Acid

Autor:	D. P. Gerasimova, L. V. Frantsuzova, R. R. Fayzullin, O. A. Lodochnikova
Jazyk:	English<br />Russian
Rok vydání:	2023
Předmět:	hydrogen-bonded dimer carboxylic acids electron lone pairs Science
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
Externí odkaz:	https://doaj.org/article/19ae2d1435474803a9d4aed41765c1f6 Zobrazit plný text záznamu View record in DOAJ