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
Source: 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
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