Characterization and structure-property relationship of chemical oxidative polymerization of poly(para-hydroquinone)

Poly(para‐hydroquinone) (PPHQ) was prepared by chemical oxidation reaction using titanium tetrachloride (TiCl4) as an oxidant. Solid‐state nuclear magnetic resonance (CPMAS 13C‐NMR), infrared absorption, optical absorption, thermal analysis (TGA and DTA), and electron paramagnetic resonance techniqu...

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Bibliographic Details
Published in:Journal of applied polymer science 2010-10, Vol.118 (2), p.711-720
Main Authors: Tibaoui, T., Ayachi, S., Hamidi, M., Bouachrine, M., Paris, M., Alimi, K.
Format: Article
Language:English
Subjects:
Applied sciences
calculations
Condensed Matter
conjugated polymers
Density functional theory
Electron paramagnetic resonance
Exact sciences and technology
FTIR
Infrared absorption
Materials Science
Mathematical models
NMR
Oligomers
Optical properties
Organic polymers
Physicochemistry of polymers
Physics
Polymerization
Preparation, kinetics, thermodynamics, mechanism and catalysts
Reproduction
structure-property relations
Tetrachlorides
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Summary:Poly(para‐hydroquinone) (PPHQ) was prepared by chemical oxidation reaction using titanium tetrachloride (TiCl4) as an oxidant. Solid‐state nuclear magnetic resonance (CPMAS 13C‐NMR), infrared absorption, optical absorption, thermal analysis (TGA and DTA), and electron paramagnetic resonance techniques were used to characterize the obtained PPHQ polymer. The correlation between different experimental results justifies the chemical structure and proves the vibrational and optical properties of this polymer. Theoretical calculations based on ab initio density functional theory and semiempirical Austin Model 1 methods were accomplished to elucidate the structure–property relationship of PPHQ polymer. From oligomer 8‐hydroquinone, we have predicted the experimentally observed results. This oligomer is considered as model structure, which reproduces the PPHQ polymer characteristics and elucidates the TiCl4 effect on the properties of the polymer under study. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
ISSN:0021-8995
1097-4628
1097-4628
DOI:10.1002/app.31226