Abstract
The B3LYP/6-311++G(df,p) quantum-chemical simulation has revealed that linear associates of methanol catalyze the ketone–enol, nitro–aci-nitro, and carbamate–azomethinenol tautomeric transformations. All the reactions proceed via the coherent transition states. The catalytic effect is enhanced with the increased alcohol degree of association. The acid-base properties of methanol are changed similarly.
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Original Russian Text © A.Ya. Samuilov, F.B. Balabanova, Ya.D. Samuilov, A.I. Konovalov, 2015, published in Zhurnal Obshchei Khimii, 2015, Vol. 85, No. 8, pp. 1249–1256.
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Samuilov, A.Y., Balabanova, F.B., Samuilov, Y.D. et al. Alcohol associates as catalysts of tautomeric transformations. Russ J Gen Chem 85, 1808–1815 (2015). https://doi.org/10.1134/S1070363215080034
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DOI: https://doi.org/10.1134/S1070363215080034