Quantum-Chemical Study of Compounds Containing Intramolecular O-H•••O=C Bond

New results of the study of stable intermediates containing an intramolecular hydrogen bond O-H center dot center dot center dot 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 center dot center dot center dot O=C intramolecular hydrogen bonding on the molecules reactivity were discussed. DOI: 10.1134/S1070363211090131