Structural evidence for nonplanar keto- and planar enol-forms of oxophlorins
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چکیده
منابع مشابه
The a-Cyano-a-phenylacetic Acid Keto-Enol System. Flash Photolytic Generation of the Enol in Aqueous Solution and Determination of the Keto-Enol Equilibrium Constants and Acid Dissociation Constants Interrelating All Keto and Enol Forms in That Medium
The enol of a-cyano-a-phenylacetic acid was observed as a short-lived transient species formed upon flash photolytic generation of phenylcyanoketene by a photo-Wolff reaction of a-cyano-a-diazoacetophenone followed by hydration of the ketene. Rates of ketonization of the enol were measured in dilute hydrochloric acid solutions and acetic acid, biphosphate ion, tris(hydroxymethyl)methylamine, an...
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Using Hartree–Fock (HF) and ِِDensity Functional Theory (DFT) calculations the thermodynamic properties such as thermal energy , , thermal enthalpy , , thermal entropy , , thermal Gibbs free energy , , heat capacity ,Cv, and molecular structures of several species involving in keto↔enol tautomerism related to acetaldehyde (A), 5,5-dimethyl-1,3-cyclohexanedione (dimedone) and acetylacetone (AA) h...
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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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ژورنال
عنوان ژورنال: Journal of the Chemical Society, Chemical Communications
سال: 1992
ISSN: 0022-4936
DOI: 10.1039/c39920001108