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RESEARCH PRODUCT
Effects of Carbon-sp3 Bridging on the Electronic Properties of Oligothiophenes
Maria J. SanchisRafael ViruelaEnrique OrtíPedro M. Viruelasubject
Bridging (networking)Materials scienceBand gapMechanical EngineeringMetals and AlloysElectronic structureElectronCondensed Matter PhysicsPhotochemistryElectronic Optical and Magnetic MaterialsMechanics of MaterialsComputational chemistryChemical-mechanical planarizationMaterials ChemistryDensity functional theoryElectronic propertiesdescription
Abstract The electronic properties of rigidified, carbon sp 3 -bridged bithiophenes and terthiophenes have been investigated using density functional theory calculations, sp 3 Bridging has no effect on the bandgap other than that associated to the planarization of the system. Rigidification significantly improves the ability of oligothiophenes as electron donors but diminishes their electron accepting capacity. Grafting of substituents at the sp 3 bridging carbon slightly modifies the electronic properties.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1999-05-01 | Synthetic Metals |