Chain conformations and photoluminescence of poly(di-n-octylfluorene) -: art. no. 107402
Chain conformations and photoluminescence of poly(di-n-octylfluorene) -: art. no. 107402
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DOI：
10.1103/physrevlett.94.107402
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发表时间：
2005-03-18
影响因子：
8.6
通讯作者：
Winokur, MJ
中科院分区：
文献类型：
--
作者：
Chunwaschirasiri, W;Tanto, B;Winokur, MJ
从分子水平研究了聚(二正辛基荧烯)的各种稳态光谱性质。对具有代表性的低聚物的建模支持对至少三类具有不同链扭转角的构象异构体的实验观察。一类似乎由单个紧凑的结构异构体填充，这符合所谓的贝塔阶段。结合Frenkel型激子能带结构计算，对光致发光进行了严格的Franck-Condon分析。这些结果准确地再现了光吸收和单重态激子发射的所有主要光谱特征。
The diverse steady-state spectroscopic properties of poly(di-n-octylfluorene) are addressed from a molecular-level perspective. Modeling of representative oligomers support the experimental observation of at least three distinguishable classes of conformational isomers with differing chain torsion angles. One class appears to be populated by a single compact structural isomer, and this conforms to the so-called beta phase. A rigorous Franck-Condon analysis of the photoluminescence in conjunction with Frenkel-type exciton band structure calculations is performed. These results accurately reproduce all major spectral features of the photoabsorption and those of singlet exciton emission.