Journal of Molecular Structure

Intramolecular hydrogen bonding of o-hydroxyesters and related compounds evaluated by deuterium isotope effects on 13 C chemical shifts and principal component …

PE Hansen, FS Kamounah, S Ullah

Index: Hansen, Poul Erik; Kamounah, Fadhil S.; Ullah, Saif Journal of Molecular Structure, 2007 , vol. 844-845, p. 300 - 307

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Citation Number: 3

Abstract

o-Hydroxyaromatic esters, β-hydroxyketoesters, Meldrums acids, other o-hydroxyesters and a few o-hydroxyacid anhydrides are investigated by deuterium isotope effects on 13C chemical shifts, xΔC (OD). Especially the ester carbons show unusual deuterium isotope effects. A principal component analysis based on bond lengths and distances around the hydrogen bond six-membered ring make it possible to predict isotope effects. The ratio ...