Search results for "Electric Conductors"

showing 2 items of 2 documents

Theoretical determination of the geometric and electronic structures of oligorylenes and poli(peri‐naphthalene)

1992

We present a theoretical investigation of the electronic structure of oligorylenes (from perylene to heptarylene, including also the naphthalene molecule) and their corresponding polymer poly(peri‐naphthalene) (PPN) using the nonempirical valence effective (VEH) method. The geometry of the unit cell used to generate the polymer is extrapolated from the PM3‐optimized molecular geometries of the longest oligorylenes. That geometry shows some bond alternation along the perimeter carbon chains and a bond length of ≊1.46 Å is calculated for the peri bonds connecting the naphthalene units. The VEH one‐electron energy level distributions calculated for oligorylenes are used to interpret the experi…

OptimizationChemical BondsBand gapStereochemistryExtrapolationElectric ConductorsGeometryGeneral Physics and AstronomyElectronic structureMolecular physicsEnergy LevelsMolecular orbitalPhysical and Theoretical ChemistryBand Structure:FÍSICA::Química física [UNESCO]Electronic band structurePeryleneFilmsValence (chemistry)Organic PolymersChemistryElectronic Structure ; Perylene ; Naphthalene ; Organic Polymers ; Unit Cell ; Geometry ; Extrapolation ; Optimization ; Chemical Bonds ; Carbon ; Chains ; Energy Levels ; Ionization Potential ; Affinity ; Band Structure ; Electric Conductors ; Films ; PyrolysisUnit CellChainsCarbonUNESCO::FÍSICA::Química físicaBond lengthIonization PotentialMolecular geometryElectronic StructureAffinityIonization energyNaphthalenePyrolysis
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Modified Donnan phenomena in polyaniline with poly(vinyl sulphonate) chains

1993

We develop a physical model, based on the modified Donnan phenomena ideas introduced previously by the authors, to describe the acid doping of the conducting polymer polyaniline. The theory is motivated by the experimental work of Asturias et al. [Ber. Bunsenges. Phys. Chem. 95, 1381 (1991)]. Good agreement between theory and experiment is found.

chemistry.chemical_classificationConductive polymerMathematical ModelsChemistryDopingElectric ConductorsModificationsChainsGeneral Physics and AstronomySulfonic acidUNESCO::FÍSICA::Química físicaMathematical Models ; Polyanilines ; Modifications ; Donnan Theory ; Electric Conductors ; Doped Materials ; Chains ; Organic Acidschemistry.chemical_compoundOrganic AcidsChemical engineeringPolyanilinePolymer chemistryDonnan TheoryExperimental workPolyanilinesPhysical and Theoretical ChemistryDoped Materials:FÍSICA::Química física [UNESCO]The Journal of Chemical Physics
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