The aniline dimer, N-(4-aminophenyl)aniline has been polymerized cleanly under mild conditions to obtain an emeraldine base form of polyaniline using [MeB(3-(Mes)Pz)3]CuCl as the catalyst and H2O2 as the oxidant, while the subsequent acidification of the emeraldine base gives the conducting emeraldine salt form of polyaniline.

in this study, polyaniline molecule (emeraldine base) is modeled as a molecular wire and the effects of the metal/molecule coupling strength and the molecule length on the current-voltage (i-v) characteristics are numerically investigated. using a tight-binding hamiltonian model, the methods based on non-equilibrium green’s function theory, landauer formalism and newns-anderson model, our calcu...

The three-dimensional structures of emeraldine base polyaniline (PANI) and (polyaniline)(0.5)V(2)O(5) x 1.0 H(2)O have been determined by total X-ray scattering experiments. Atomic pair distribution functions (PDF) were measured to obtain experimental observables against which structural models were tested and refined. The PDF approach is necessary because of the limited structural coherence in...

The self-assembly of two emeraldine base tetra(aniline) derivatives is investigated using scanning tunneling microscopy. A combination of the scanning tunneling microscopy data and calculations reveals the presence of predicted cis/trans isomerism in this oxidation state. This isomerism is shown to hinder self-assembly into ordered structures, and provides indications as to why the properties o...

A new mechanism for the formation of doped polyaniline is presented. Besides providing suitable structural and spectroscopic parameters, the new mechanism allows for the rationalization of the experimentally observed equilibrium between polaron and bipolaron defects in emeraldine salt. The magnetic behavior and the "metallic island" model for conduction in doped polyaniline are also theoretical...

A hybrid quantum mechanics (QM)/molecular dynamics (MD) simulation is performed to investigate the effect of an ionizable group (-SO₃(-)Na⁺) on polyaniline as gas sensing materials. Polymers considered for this work include emeraldine base of polyaniline (EB-PANI) and its derivatives (Na-SPANI (I), (II) and (III)) whose rings are partly monosubstituted by -SO₃(-)Na⁺. The hybrid simulation resul...

A protonated polyaniline-functionalized SBA-15 mesoporous silica nanomaterial (H(+)-PANI/SBA-15) with high surface area and ideal surface properties for the adsorption of anionic dyes is synthesized. Compared with the conventional emeraldine salt of polyaniline (H(+)-PANI), H(+)-PANI/SBA-15 has a significantly higher adsorption capacity for the anionic dye Orange G and is a more effective sorbe...

We propose a new type of ammonia sensor based on composite film between polyaniline (emeraldine base) dissolved in dimethylformamide, and poly(DL-lactic) acid dissolved in chloroform. The two solutions were mixed in weight ratio of the components 1:1 and cast on Al2O3 substrate, on which silver electrodes were deposited previously. The active layer structure and morphology were examined by atom...

A conducting-electroactive polyaniline/magnetite (PAni/Fe304) nanocomposite was synthesized using anilinium dodecylbenzene sulfonate (S1) as a reactive surfactant. First, S1 allowed magnetite dispersion in the aqueous phase and second, S1 performed as the monomer of polyaniline emeraldine base salt. Electron microscopy suggested core-shell morphology based on S1 amphiphilic character; that is, ...