Browsing by Subject "Polypyrroles"
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Item Open Access Conducting polymer composites of polypyrrole and a poly(arylene ether ketone)(1998) Selampinar F.; Akbulut, U.; Toppare L.Electrically conducting composites of polypyrrole and a poly(arylene ether ketone) were synthesized by electroinitiated polymerization of pyrrole on a poly(arylene ether ketone)-coated platinum electrode. The electrolysis medium was water and p-toluene sulfonic acid. The conductivities of the composites were in the range 1-10 S/cm. The composites were characterized by scanning electron microscopy, Fourier transform infrared, and thermal analyses. The composites were found to be composed of bilayers which can be peeled into two free-standing polymer films. The solution side of the polypyrrole layer of the alloy film contains globular structures, whereas the other side is smoother.Item Open Access Density functional theory investigation of substituent effects on building blocks of conducting polymers(Elsevier, 1999) Salzner, U.Substituted heterocyclic dimers were calculated employing density functional theory (DFT) and analyzed with the natural bond orbits method (NBO). Substitution in 3- and 4-positions leads to parallel shifting of HOMO and LUMO but does not reduce energy gaps. For bridge dimers, HOMO-LUMO gaps correlate with π-electron densities in the carbon backbone and energy gap reduction correlate with the strength of π-π* interactions from the backbone to the bridging group. Alternating donor-acceptor groups do not reduce energy gaps and lead to systems with average HOMO and LUMO levels compared to the parent molecules.Item Open Access Effects of perfluorination on thiophene and pyrrole oligomers(2010) Salzner, U.The effect of perfluorination on thiophene and pyrrole oligomers in neutral, cationic, and anionic states was investigated with density functional theory at the (TD)B3P86-30%/6-31G* level. For the title compounds fluorination leads to planarization. For pyrroles a band gap reduction of 0.58 eV results, as unsubstituted pyrroles are nonplanar and disordered in the solid state. For thiophene the band gap is slightly increased as long thiophene oligomers are almost planar. Ionization energies and electron affinities increase upon fluorination by 0.65 and 0.60 eV for polythiophene and by 0.45 and 0.90 eV for polypyrrole. Conduction band widths increase by 0.5 for polythiophene and by 0.7 eV for polypyrrole. Spectra of charged (doped) forms are almost identical to those of the parent systems. Like parent systems, fluorinated oligomers with chain lengths of more than six rings develop a third UV absorption that increases in strength and decreases in energy upon chain length increase.Item Open Access A photoelectron spectroscopic investigation of conducting polypyrolle-polyamide composite film(Elsevier, 1995-04) Süzer, Şefik; Toppare, L.; Allen, G. C.; Hallam, K. R.X-ray photoelectron spectrum of the electrochemically prepared polypyrrole and polypyrrole-polyamide composite films exhibit an additional strong high binding energy peak at 402.0 eV corresponding to N+ moieties. Intensity of this peak is significantly reduced upon electrochemical reduction. Atomic concentrations derived from the observed N+ and F (stemming from the dopant BF4-) peaks reveal a slightly higher cation/anion ratio for this composite and suggest that the composite has a different chemical composition than the corresponding polymers. © 1995 Elsevier Science B.V.Item Open Access Platinum-palladium loaded polypyrrole film electrodes for the electrooxidation of D-glucose in neutral media(Elsevier Sequoia SA, Lausanne, Switzerland, 1999) Becerik, İ.; Süzer, Ş.; Kadirgan, F.Modified polymer films with metal particles incorporated into the films by electrodeposition are known as possible electrocatalysts for various electrode reactions such as fuel cell applications. This work presents some results concerning the electrooxidation of D-glucose at modified polymer film electrodes prepared on a platinum substrate. This reaction has a great deal of interest in view of its applications to detection systems (glucose sensor), fuel cells (pacemakers) and electroorganic systhesis. The modified polymer film electrodes contain platinum and/or palladium particles dispersed in the polypyrrole film by electrodeposition in neutral media. Addition of palladium to platinum modifies the electrocatalytic behaviour of the electrode drastically. The modification is thought to involve minimization of the poisoning of the catalyst, hence increasing its electrode activity.Item Open Access Theoretical modeling of the doping process in polypyrrole by calculating UV/Vis absorption spectra of neutral and charged oligomers(2008) Okur, S.; Salzner, U.Changes in absorption spectra during doping of oligopyrroles were investigated with time-dependent density functional theory on optimized structures of neutral, singly, and doubly charged pyrrole oligomers with up to 24 rings. In the absence of counterions, defects are delocalized. Counterions induce localization. For dications two polarons on the same chain are preferred over a bipolaren. Intragap absorptions arise in charged species, no matter whether defects are localized or delocalized. Cations and dications give rise to two sub-band transitions. The cation peaks have lower energies than those of dications. The first excitations of cations have lower oscillator strengths than the second; for dications the second peak is weaker than the first. For very long oligomers, the second sub-band absorption vanishes and a third one appears at higher energy. The behavior of pyrrole oligomers is analogous to that of thiophene oligomers. Theoretical UV spectra for cations and dications of short oligomers (six to eight rings) match experimental spectra of polypyrrole at low and at high doping levels, respectively. The error in the theoretical calculations is about 0.4 eV, slightly larger than for thiophene oligomers at the same level of theory. © 2008 American Chemical Society.