Quantum chemical study of the acidity of 3,4-dihydro-2H-thiopyran-1,1-dioxides-Reference-Cited by-同舟云学术

Quantum chemical study of the acidity of 3,4-dihydro-2H-thiopyran-1,1-dioxides

Published:2023-09-23 Issue:3 Volume:4 Page:90-94
ISSN:2782-1900
Container-title:From Chemistry Towards Technology Step-By-Step
language:en
Short-container-title:

Author:

Starostin Mihail¹,Dolbnev Nikita¹,Ovchinnikov Konstantin¹

Affiliation:

1. Yaroslavl State Technical University

Abstract

We conducted quantum chemical modelling by REVPBE0 3,4-dihydro-2H-thiopyran-1,1-dioxide,3,4,6-triphenyl-3,4-dihydro-2H-thiopyran-1,1-dioxide and their anions. The authors calculated the Gibbs free energies for the reaction of their interaction with hydroxide anion as a base. We have found a difference in the acidic properties of the protons of the 2H-thiopyran rings and the positions of the reaction centres in the subsequent reactions involving the formed anions.

Publisher

Yaroslavl State Technical University

Reference19 articles.

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