Conformational analysis ( ab initio HF / 3-21 G * ) and optical properties of poly ( thiophene-phenylene-thiophene ) ( PTPT )

@inproceedings{Pan2002ConformationalA,
  title={Conformational analysis ( ab initio HF / 3-21 G * ) and optical properties of poly ( thiophene-phenylene-thiophene ) ( PTPT )},
  author={Jing-Fang Pan and S. J. Chua and Wei Huang},
  year={2002}
}
The optical properties of two series of thiophene-based polymers are interpreted by torsion analysis. When approached by the calculated HOMO/LUMO energy gaps of model molecules, the wavelength shifts from solutions to films are reasonable in cyclohexyl-substituted series but not in hexyl-substituted series, indicating that solid packing force plays a more… CONTINUE READING