Synthesis and representation of a new structure for polypyrrole–chitosan nanocomposite and investigation of effect of intermolecular interaction

•Synthesized of conductive core–shell polypyrrole–chitosan nanocomposite.•Investigation of nanocomposite by using SEM, TEM and FTIR images.•Comparing the experimentally observed IR spectra with the theoretical spectra.•The actual configuration of PCC was found which has moderate internal hydrogen bo...

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Bibliographic Details
Published in:Synthetic metals 2014-11, Vol.197, p.154-158
Main Authors: Salahi, Soheila, lashkenari, Mohammad Soleimani, Abbaszadeh, Mehran, Pousti, Mohammad, Ghorbani, Mohsen
Format: Article
Language:English
Subjects:
Applied sciences
Chitosan
Composite materials
Computational techniques
Exact sciences and technology
Fourier transform infrared spectroscopy
Fourier transforms
Infrared radiation
Mathematical models
Nanostructure
Organic polymers
Physicochemistry of polymers
Polymerization
Polymers
Polymers with particular properties
Polypyrroles
Preparation, kinetics, thermodynamics, mechanism and catalysts
Scanning electron microscopy
Spectra
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Summary:•Synthesized of conductive core–shell polypyrrole–chitosan nanocomposite.•Investigation of nanocomposite by using SEM, TEM and FTIR images.•Comparing the experimentally observed IR spectra with the theoretical spectra.•The actual configuration of PCC was found which has moderate internal hydrogen bonds (IHB). This study describes the preparation of polypyrrole/chitosan nanocomposite (PPC) in aqueous media by chemical polymerization of pyrrole in presence of ferric chloride (FeCl3) as an oxidant. The products were investigated in terms of morphology and chemical structure with scanning electron microscope (SEM), transmission electron microscope (TEM) and Fourier transform infrared (FTIR) spectroscopy, respectively. The observable experimental IR spectra were compared with the calculated spectra. In theoretical calculations, different models of polypyrrole (PPy), chitosan and PCC were established. All models geometry were optimized without any geometrical constraint by different methods and IR vibrational wavenumbers of these models were calculated using DFT-B3LYP/6-31G and they were compared with experimental FTIR spectrum. By analyzing the results, the actual configurations of PCC were found that have moderate internal hydrogen bonds (IHB).
ISSN:0379-6779
1879-3290
DOI:10.1016/j.synthmet.2014.09.009