Vibrational spectroscopy of the leucoemeraldine form of polyaniline: Theoretical study

Kostić, R.; Raković, D.; Davidova, I.E.; Грибов, Л. А.

doi:10.1103/physrevb.45.728

Cited by 30 publications

(28 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For example, experimental infrared ͑ir͒ mode frequencies have been published for PANi, [12][13][14] but one paper did not assign most of the observed modes, 13 and another assigned only the fundamental ones. 14 Using a harmonic potential with parameters transferred from other molecules, Kostić et al 15 calculated the vibrational modes, which are in quite good agreement with previously published data. However, despite these results, no comprehensive study is available concerning the dynamical properties of the materials, especially the dynamical anisotropy.…”

Section: Introductionsupporting

confidence: 78%

Lattice dynamics of polyaniline and poly(p-pyridyl vinyline): First-principles determination

et al. 2006

View full text Add to dashboard Cite

The full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. First-principles density functional studies of the dynamical properties of the conjugated polymers polyaniline and poly͑p-pyridyl vinyline͒ are presented in this work. We have employed linear response within density functional perturbation theory, as implemented in the CASTEP code, to investigate the Born effective charges, polarizabilities, and vibrational properties. With regard to the last, we have calculated the vibrational frequencies and made assignments of the modes for the two polymers. Most of the phonon modes have been classified and we have shown that the higher frequency modes are associated with C u H and C v N stretching modes. We also present the results of calculations of the polarizability and permittivity of the materials which are in reasonable agreement with the typical values of conjugated polymers. Dynamical Born effective charges have been calculated and compared with the Mulliken population atomic charges. It is found that notable differences exist between the Born effective charges for the nitrogen atoms in the conducting polymers, and we conclude that effective charges are more appropriate for use in the study of the dynamics of the systems. Differences are found in the ir absorption spectra obtained for the two polymers, which can be attributed to the structural differences of the two materials. It is found that the presence of the nitrogen atom plays an important role in determining their lattice dynamics.

show abstract

Section: Introductionsupporting

confidence: 78%

Lattice dynamics of polyaniline and poly(p-pyridyl vinyline): First-principles determination

et al. 2006

View full text Add to dashboard Cite

show abstract

“…With the influence of a dopant there is marked change in the frequencies and intensity of the peaks. We herein compared peaks of four systems in different spectral region with the theoretical reported values (Radima et al reported theoretical vibrational spectra of the Leucomeraldine form of neutral reduced PANI) . FTIR spectrum of PANI provides detailed information about relative amount of different groups present in it.…”

Section: Resultsmentioning

confidence: 95%

“…FTIR Spectra for pure starch have characteristic bands at 3,345, 2,926, 2,094, 1,646, 1,426, 1,370, 1,237, 1,158, and 524 cm −1 (cf. Supporting Information‐1B) as reported in the literature .…”

Section: Resultsmentioning

confidence: 99%

Preparation and characterization of polyaniline, multiwall carbon nanotubes, and starch bionanocomposite material for potential bioanalytical applications

Gautam

Srivastava

Singh³

et al. 2015

Polym. Compos.

View full text Add to dashboard Cite

In this article, we are reporting the preparation and characterization of a multi‐component integrated nanocomposite material by the combination of a naturally occuring biocompatible biopolymer (Starch—a type of polysaccharide), functional conjugated synthetic polymer (Polyaniline “PANI”—a type of intrinsic conducting polymer) and nanosize tubular conducting template material (multiwalled carbon nanotubes “MWCNTs”—a type of carbonaceous nanotube structure). Comparative studies of the four material systems viz. system‐1: PANI, system‐2: PANI/MWCNTs, system‐3: PANI/Starch, and system‐4: PANI/MWCNTs/Starch have been carried out to understand the physical and chemical characteristics by using following instrumental techniques; UV‐Visible spectroscopy, fourier infrared spectroscopy, Raman, X‐ray diffraction, scanning electron microscopy, transmission electron microscopy, BET‐surface area, conductivity, thermal gravimetric analysis, differential scanning calorimetry, and cyclic voltammetry. Proposed nanocomposite material, PANI/MWCNTs/Starch has nanosized integrated porous morphology (∼200–300 nm) with interconnected architecture, while simultaneously having good conductivity and better electroactivity. Moreover, the presence of hydroxyl functionality empowers it with good dispersion ability which is further supported by good biodegradability and biocompatibility. These properties together attest the proposed system for promising applications in biosensors and screen printed electrode ink formulation. POLYM. COMPOS., 38:496–506, 2017. © 2015 Society of Plastics Engineers

show abstract

“…According to the literature [23][24][25][26][27][28], the transformation of an oxidized state of PAni into the reduced state is accompanied by a change from quinoidal to benzoidal form with the following spectral changes: • a band shift from 1164 cm À1 towards 1183 cm À1 corresponding to the C-H deformation vibration, • a marked increase of the band intensity at 1620 cm À1 for the C-C elongation vibration, • a decrease of band height at 1486 cm À1 for the C@N elongation vibration, • a decrease of the band at 1330 cm À1 for the C-N þÅ elongation vibration. The comparison of the two curves presented in Fig.…”

Section: Micro-raman Spectroscopy To Determine the Oxidation State Ofmentioning

confidence: 99%

Mechanism for protection of iron corrosion by an intrinsically electronic conducting polymer

Nguyen

Pham

et al. 2004

Journal of Electroanalytical Chemistry

View full text Add to dashboard Cite

Vibrational spectroscopy of the leucoemeraldine form of polyaniline: Theoretical study

Cited by 30 publications

References 15 publications

Lattice dynamics of polyaniline and poly(p-pyridyl vinyline): First-principles determination

Lattice dynamics of polyaniline and poly(p-pyridyl vinyline): First-principles determination

Preparation and characterization of polyaniline, multiwall carbon nanotubes, and starch bionanocomposite material for potential bioanalytical applications

Mechanism for protection of iron corrosion by an intrinsically electronic conducting polymer

Contact Info

Product

Resources

About