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• W1520383429 startingPage "1655" @default.
• W1520383429 abstract "Aspects of the effects of deuteriation on the properties of acetylacetone (pentan-2,4-dione) and its enol have been reinvestigated and new isotope effects have been sought in order to understand better the nature of the hydrogen bridge in the enol (1E). There is no substantial hydrogen isotope effect on the enthalpy of enolisation of 1 (contrary to Ref. 5) but there are unusually large isotope effects on vmax (contrary to Ref. 5) and on the band shape of the long wavelength ( ~ 37,000 cm−1) UV absorption and on the 13C NMR chemical shift of the Cl(3) atoms in 1E. It is concluded that these and other properties of the enol 1E can be qualitatively explained if the hydrogen bridge in 1E is not quite symmetrical but has two symmetrically placed potential energy minima close together for the hydrogen atom leading to a lengthening of the O⋯O distance on deuteriation." @default.
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• W1520383429 date "1977-01-01" @default.
• W1520383429 modified "2023-09-23" @default.
• W1520383429 title "Isotope effects—I" @default.
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• W1520383429 doi "https://doi.org/10.1016/0040-4020(77)80178-6" @default.
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