Abstract
New results of the study of stable intermediates containing an intramolecular hydrogen bond O-H…O=C in the gas phase and solvents, carbon tetrachloride and dioxane, were analyzed. The structural and energy characteristics of the stable conformers of these compounds were determined by a MR2/6-311++G(d, p) method. The most stable is the hydrogen-bonded conformer of 1-hydroxy-1-chloroethyl acetate molecule. The approaches to accounting for the effects of the O-H…O=C intramolecular hydrogen bonding on the molecules reactivity were discussed.
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Original Russian Text © V.V. Varfolomeeva, 2011, published in Zhurnal Obshchei Khimii, 2011, Vol. 81, No. 9, pp. 1473–1478.
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Varfolomeeva, V.V. Quantum-chemical study of compounds containing intramolecular O-H…O=C bond. Russ J Gen Chem 81, 1812–1817 (2011). https://doi.org/10.1134/S1070363211090131
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DOI: https://doi.org/10.1134/S1070363211090131