| Theoretical Investigation on the Luminescent Properties of Polyfluorene and Poly（fluorene-co-thiophene） |
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| 作者单位： | FENG Ji-kang(State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, P. R. China;College of Chemistry, Jilin University, Changchun 130021, P. R. China);ZHANG Jing-hua,REN Ai-min,RAN Xue-qin,LI Yuan-yuan(State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, P. R. China) |
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| 基金项目： | Supported by the State Basic Research Development Program of China(No.2002CB613406);;the National Natural Science Foundation of China(No.20673045);;the Open Project of State Key Laboratory of Superamolecular Structure and Materials of Jilin University(No.SKLSSM200716) |
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| 摘 要： | The density functional theory was employed to study the structures, ionization potentials(IPs), electron affinities(EAs), and HOMO-LUMO gaps(ΔH-L) of the oligomers. The time-dependent density functional theory(TD-DFT) and ZINDO were employed to study the lowest excitation energies(Egs) and the absorption and emission spectra of the oligomers of polyfluorene(PF) and poly(fluorene-co-thiophene)(PFT). By extrapolating ΔH-L and Egs to those of infinite chain length, band gaps and effective conjugation lengths o...
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| 关 键 词： | Polyfluorene Poly（fluorene-co-thiophene） Luminescent property |
Theoretical Investigation on the Luminescent Properties of Polyfluorene and Poly(fluorene-co-thiophene) |
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| Authors: | FENG Ji-kang ZHANG Jing-hua REN Ai-min RAN Xue-qin LI Yuan-yuan State Key Laboratory of Theoretical Computational Chemistry |
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| Institution: | [1]State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry [2]College of Chemistry, Jilin University, Changchun 130021, P. R. China |
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| Abstract: | |
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| Keywords: | Polyfluorene Poly(fluorene-co-thiophene) Luminescent property |
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