Selected Papers : Identification of Hydrogen-Bonded Oligomers in Associating Liquid by HNMR : 1-Phenyl-1-cyclohexanol

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<jats:title>Abstract</jats:title> <jats:p>Nonmonotonous temperature dependence, which suggests formation of closed oligomer(s) via hydrogen-bonds, is detected in heat capacity and dielectric constant of the title compound in the liquid state. The 1H NMR signal of hydroxy protons showed a temperature-dependent fine structure. Quantum-chemical calculations on oligomers of several types revealed that the fine structure is plausibly interpreted as a temperature-dependent formation/destruction of oligomers. A coherent analysis of calorimetric, FT-IR, dielectric, and 1H NMR results shows that the neat liquid of the title compound consists mostly of closed (square) tetramers via H-bonds at lower temperatures, and oligomers with open (or straight) H-bonding and non-H-bonding (monomer) at higher temperature.</jats:p>

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