Please use this identifier to cite or link to this item:
https://doi.org/10.1016/S0009-2614(02)00934-X
Title: | Conformational analysis (ab initio HF/3-21G*) and optical properties of poly(thiophene-phenylene-thiophene) (PTPT) | Authors: | Pan, J.-F. Chua, S.-J. Huang, W. |
Issue Date: | 2-Sep-2002 | Citation: | Pan, J.-F., Chua, S.-J., Huang, W. (2002-09-02). Conformational analysis (ab initio HF/3-21G*) and optical properties of poly(thiophene-phenylene-thiophene) (PTPT). Chemical Physics Letters 363 (1-2) : 18-24. ScholarBank@NUS Repository. https://doi.org/10.1016/S0009-2614(02)00934-X | Abstract: | 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 important role in the former than in the latter. The lengths of hexyl and cyclohexyl groups on bithiophene segment are the dominant factor that determines the distance of co-facial chain packing which affects the conformation of the polymer chain. In both series the photoluminescence (PL) efficiency increases as the equilibrium torsion angle decreases. © 2002 Published by Elsevier Science B.V. | Source Title: | Chemical Physics Letters | URI: | http://scholarbank.nus.edu.sg/handle/10635/55395 | ISSN: | 00092614 | DOI: | 10.1016/S0009-2614(02)00934-X |
Appears in Collections: | Staff Publications |
Show full item record
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.