Condensation reactions of phenolic resins. VI. Dependence of the molecular association of 2,4,6-trihydroxymethylphenol on the concentration in an aqueous alkaline medium

Naruyuki Kamo, Tetsuo Kondo, Mitsuhiro Morita

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The concentration dependence of the molecular association of 2,4,6-trihydroxymethylphenol (THMP) as a model compound for phenol-formaldehyde resin was studied. 13C-NMR spin-lattice relaxation time (T 1) measurements indicated that the molecular interactions were influenced by the concentration of THMP. Plots of T1 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 1.5 mol/L, almost all the THMP molecules were bimolecularly associated, and the formation of larger clusters was initiated.

Original languageEnglish
Pages (from-to)2849-2854
Number of pages6
JournalJournal of Applied Polymer Science
Volume103
Issue number5
DOIs
Publication statusPublished - Mar 5 2007

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Phenolic resins
Condensation reactions
Molecular interactions
Association reactions
Molecules
Orbital calculations
Spin-lattice relaxation
Molecular orbitals
Formaldehyde
Relaxation time
Phenols
Resins
Nuclear magnetic resonance
phenol-formaldehyde resin

All Science Journal Classification (ASJC) codes

  • Polymers and Plastics

Cite this

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title = "Condensation reactions of phenolic resins. VI. Dependence of the molecular association of 2,4,6-trihydroxymethylphenol on the concentration in an aqueous alkaline medium",
abstract = "The concentration dependence of the molecular association of 2,4,6-trihydroxymethylphenol (THMP) as a model compound for phenol-formaldehyde resin was studied. 13C-NMR spin-lattice relaxation time (T 1) measurements indicated that the molecular interactions were influenced by the concentration of THMP. Plots of T1 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 1.5 mol/L, almost all the THMP molecules were bimolecularly associated, and the formation of larger clusters was initiated.",
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T1 - Condensation reactions of phenolic resins. VI. Dependence of the molecular association of 2,4,6-trihydroxymethylphenol on the concentration in an aqueous alkaline medium

AU - Kamo, Naruyuki

AU - Kondo, Tetsuo

AU - Morita, Mitsuhiro

PY - 2007/3/5

Y1 - 2007/3/5

N2 - The concentration dependence of the molecular association of 2,4,6-trihydroxymethylphenol (THMP) as a model compound for phenol-formaldehyde resin was studied. 13C-NMR spin-lattice relaxation time (T 1) measurements indicated that the molecular interactions were influenced by the concentration of THMP. Plots of T1 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 1.5 mol/L, almost all the THMP molecules were bimolecularly associated, and the formation of larger clusters was initiated.

AB - The concentration dependence of the molecular association of 2,4,6-trihydroxymethylphenol (THMP) as a model compound for phenol-formaldehyde resin was studied. 13C-NMR spin-lattice relaxation time (T 1) measurements indicated that the molecular interactions were influenced by the concentration of THMP. Plots of T1 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 1.5 mol/L, almost all the THMP molecules were bimolecularly associated, and the formation of larger clusters was initiated.

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