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A NMR study of phenol self-association. The quasi-chemical approximation
Authors:L. Kimtys  P. Mikulskis  N. N. Shape'ko
Abstract:The NMR dilution chemical shifts of phenol in the cyclohexane, methylcyclohexane and carbon tetrachloride solutions at temperatures +10, +20, +40, +50, +60, +70 and +80°C have been interpreted applying the quasi-chemical approximation. The interchange energies for the OH…O bonding and the chemical shifts of hydroxylic protons in associated phenol molecules have been determined and their temperature dependences studied. The obtained results are in good accordance with the equilibrium calculation data.
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