High Resolution NMR Studies of Keto-Enol Tautomerism and Metal Compoundsi n Thenoyltrifluoroacetone
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چکیده
منابع مشابه
Probing keto-enol tautomerism using photoelectron spectroscopy.
We theoretically investigate the mechanism of tautomerism in the gas-phase acetylacetone molecule. The minimum energy path between the enolone and diketo forms has been computed using the Nudged-Elastic Band (NEB) method within the density-functional theory (DFT) using the projector augmented-wave method and generalized gradient approximation in Perdew-Wang (PW91) parametrization. The lowest tr...
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Equilibrium constants for keto-enol tautomerisation and migration of hydrogen from carbon to nitrogen to form enamine or zwitterion tautomers have been measured for 2-, 3and 4phenacylpyridines (PyCH,COPh) in aqueous solution at 25 "C. Relative tautomeric stabilities fall in the order ketoimine > enamine > enol and (for the 3-isomer) enol > zwitterion. Values of pKT, (-log KT) where KT = [enamin...
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ژورنال
عنوان ژورنال: The Journal of the Society of Chemical Industry, Japan
سال: 1970
ISSN: 0023-2734,2185-0860
DOI: 10.1246/nikkashi1898.73.12_2634