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Condensation reactions of phenolic resins. VI. Dependence of the molecular association of 2,4,6‐trihydroxymethylphenol on the concentration in an aqueous alkaline medium
Author(s) -
Kamo Naruyuki,
Kondo Tetsuo,
Morita Mitsuhiro
Publication year - 2006
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.24471
Subject(s) - formaldehyde , aqueous solution , molecule , chemistry , phenol , aqueous medium , relaxation (psychology) , condensation reaction , inflection point , polymer chemistry , organic chemistry , psychology , social psychology , geometry , mathematics , catalysis
Abstract The concentration dependence of the molecular association of 2,4,6‐trihydroxymethylphenol (THMP) as a model compound for phenol–formaldehyde resin was studied. 13 C‐NMR spin–lattice relaxation time ( T 1 ) measurements indicated that the molecular interactions were influenced by the concentration of THMP. Plots of T 1 versus the concentration revealed an inflection point around 1.2 mol/L. Molecular orbital calculations of the THMP molecules implied the following features of the molecular interactions: in the concentration range below 1.0 mol/L, THMP existed as a single molecule, and then at a higher concentration, self‐association started. At concentrations higher than 1.5mol/L, almost all the THMP molecules were bimolecularly associated, and the formation of larger clusters was initiated. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 103: 2849–2854, 2007