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Issue 3, 1993
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Charge localization by the gegenion: the electronic structure and energies of the alkali metal acetaldehyde enolates

Abstract

According to ab initio calculations on model alkali metal acetaldehyde enolate monomers CH2[double bond, length half m-dash]CH–OM+, the metal gegenion-induced negative charge localization on the enolate oxygen shows little variation along the Li–Cs series and reduces the stabilization of the enolate anion (33 kcal mol–1vs. OH–1) to only 9–14 kcal mol–1vs. MOH in the metal derivatives (1 cal = 4.184 J).

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Article type: Paper
DOI: 10.1039/C39930000255
J. Chem. Soc., Chem. Commun., 1993, 255-256

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    Charge localization by the gegenion: the electronic structure and energies of the alkali metal acetaldehyde enolates

    C. Lambert, Y. Wu and P. V. R. Schleyer, J. Chem. Soc., Chem. Commun., 1993, 255
    DOI: 10.1039/C39930000255

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