Siberian Federal University 
- Issue
- Journal of Siberian Federal University. Chemistry. 2018 11 (3)
- Authors
- Sysoev, Alexander V.; Bazarnova, Natalya G.; Sysoeva, Alexandra V.; Kushnir, Evgeny Y.; Petrin, Nikolay I.; Karpitskiy, Dmitriy A.; Kuznetsov, Petr S.; Tcheprasova, Marina Y.; Mikushina, Irina V.
- Contact information
- Sysoev, Alexander V.: Altay State University 61 Lenin, Barnaul, 656049, Russia; ; Bazarnova, Natalya G.: Altay State University 61 Lenin, Barnaul, 656049, Russia; Sysoeva, Alexandra V.: Altay State University 61 Lenin, Barnaul, 656049, Russia; Kushnir, Evgeny Y.: Altay State University 61 Lenin, Barnaul, 656049, Russia; Petrin, Nikolay I.: Altay State University 61 Lenin, Barnaul, 656049, Russia; Karpitskiy, Dmitriy A.: Altay State University 61 Lenin, Barnaul, 656049, Russia; Kuznetsov, Petr S.: Altay State University 61 Lenin, Barnaul, 656049, Russia; Mikushina, Irina V.: Altay State University 61 Lenin, Barnaul, 656049, Russia
- Keywords
- salbutamol; isomerization; racemization; R, S-isomers; quantum chemical methods
- Abstract
The processes of racemization of the R- and S-enantiomers of salbutamol have been studied by quantumchemical methods. The calculations have been shown that the isomerization reaction proceeds according to the SN1 mechanism. In an aqueous medium, the equilibrium is shifted toward the formation of the S-enantiomer. Based on the analysis of thermodynamic parameters it follows that with the temperature rising, the equilibrium shifts toward the formation of a carbocation, leading to increasing the rate of the racemization process
- Pages
- 428-435
- Paper at repository of SibFU
- https://elib.sfu-kras.ru/handle/2311/107071
Journal of Siberian Federal University. Chemistry / The Theoretical Study of R, S-salbutamol Isomerization Processes by Quantum Chemical Methods
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