graduate student
Yaroslavl, Yaroslavl, Russian Federation
student
Yaroslavl, Yaroslavl, Russian Federation
Yaroslavl, Yaroslavl, Russian Federation
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.
3,4-Dihydro-2H-thiopyran-1,1-dioxides, acidity, quantum chemical modelling, REVPBE0 method
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