dft study of structural, electronic and uv-vis spectra properties of oligopyrrole chains as candidate conducting materials

Density functional theory (dft) is used to study geometry structure, electronic and uv-visible spectra properties for a series of oligopyrroles including di, tri, tetra, penta, hexa, hepta and octa-pyrrole. analysis of the homo-lumo band gap and the uv-visible spectral properties demonstrate the facility of hole transport for the oligopyrroles as a potential candidate for conducting polymers.