Publication
Chemical Physics Letters
Paper

Dynamics of proton tautomerism in 2,5-dihydroxy-p-benzoquinone: A 13C NMR and CNDO study

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Abstract

The temperature and solvent dependence of the 13C NMR spectra of 2,5-dihydroxy-p-benzoquinone have been investigated. The variations of the line shapes are analyzed in terms of chemical exchange of the two equivalent intramolecular hydrogen bonds. The interpretation of the rate parameters suggests an interconversion mechanism in which the two hydroxylic protons move in a two consecutive step mechanism. This is supported by the shape of the potential surface for the motion of the hydroxylic protons, calculated by CNDO. © 1979.

Date

01 Apr 1979

Publication

Chemical Physics Letters

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