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- W2016385665 abstract "Density functional theory is applied to investigate the stability of keto–enol equilibrium systems for perfluorocyclopentanones and perfluorocyclobutanones: 2H-Perfluorocyclopentanone (1k) and Perfluorocyclopentene-1-ol(e), 2,2H-Perfluorocyclopentanone (2k) and 2H-Perfluorocyclopentene-1-ol (2e), 2H-Perfluorocyclobutanone (3k) and Perfluorocyclobutene-1-ol- (3e), 2,2H-Perfluorocyclobutanone (4k) and 2H-Perfluorobutene-1-o1 (4e). The calculations at the B3LYP/6-311++G**//B3LYP/6-31+G* level show that some fluorinated enols such as 1e and 3e are a little bit more stable than their ketone tautomers 1k and 3k, respectively, whereas enol tautomers 2e and 4e are less stable than their respective keto forms. Our calculational predictions are well consistent with experimental results." @default.
- W2016385665 created "2016-06-24" @default.
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- W2016385665 date "1999-10-01" @default.
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- W2016385665 title "Keto–enol systems of some fluorinated cyclopentanones and cyclobutanones: density functional theory calculations" @default.
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- W2016385665 doi "https://doi.org/10.1016/s0166-1280(98)00626-5" @default.
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