аспирант
Ярославль, Ярославская область, Россия
студент
Ярославль, Ярославская область, Россия
Ярославль, Ярославская область, Россия
Проведено квантово-химическое моделирование методом REVPBE0 3,4-дигидро-2H-тиопиран-1,1-диоксида,3,4,6-трифенил-3,4-дигидро-2H-тиопиран-1,1-диоксида и их анионов. Рассчитаны свободные энергии Гиббса для реакции их взаимодействия с гидроксид анионом в качестве основания. Установлено различие в кислотных свойствах протонов 2H-тиопирановых колец и положения реакционных центров в последующих реакциях с участием образующихся анионов.
3,4-дигидро-2H-тиопиран-1,1-диоксиды, кислотность, квантово химическое моделирование, метод REVPBE0
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