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An NMR study of phenol self‐association
Author(s) -
Bogachev Yu. S.,
Vasianina L. K.,
Shapet'ko N. N.,
Alexeeva T. L.
Publication year - 1972
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270040404
Subject(s) - methylcyclohexane , phenol , cyclohexane , chemistry , equilibrium constant , dimer , carbon tetrachloride , monomer , chemical shift , atmospheric temperature range , organic chemistry , thermodynamics , polymer , catalysis , physics
This paper presents a study of the chemical shift of the phenol hydroxyl group as a function of concentration and temperature in cyclohexane, methylcyclohexane and carbon tetrachloride solutions. The chemical shift of monomeric phenol has been found. For these solutions monomertrimer equilibrium is observed within the entire temperature range and within a wide concentration range. At low phenol concentrations, from 1 to 3 mole‐%, the monomer‐dimer equilibrium is observed in cyclohexane, methylcyclohexane and carbon tetrachloride solutions. Chemical shift of the hydroxyl group of trimeric phenol is temperature‐dependent. From the experimental data the association constants and thermodynamic functions of the systems under study have been determined. The association constants differ for the above systems at the same temperatures. Association entropy Δ S changes from one system to another, while Δ H is the same for all systems.