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首页> 外文期刊>Journal of Molecular Structure >About some properties of electro-synthesized short Oligo(Para-Fluoro- Anisole) (OPFA): A combined experimental and theoretical study
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About some properties of electro-synthesized short Oligo(Para-Fluoro- Anisole) (OPFA): A combined experimental and theoretical study

机译:关于电合成短寡聚苯甲醚(OPFA)的一些性能:结合实验和理论研究

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Short Oligo(Para-Fluoro-Anisole) (OPFA) was electrochemically synthesized. Infrared absorption, Raman scattering, optical absorption and thermal analysis (TGA and DTA) techniques were used to justify the chemical structure and to prove the vibrational and optical properties of the oligomer under study. Furthermore, theoretical calculations based on ab initio Density Functional Theory (DFT) were performed in order to elucidate the structure-property relationship of OPFA oligomer and to argue the experimentally observed results. On the other hand, time-resolved photoluminescence (TR-PL) spectroscopy was used to investigate their decay process both in chloroform solution and film states. The faster PL decays in thin film, is the consequence of both conformational structure and intermolecular π-π stacking interactions.
机译:电化学合成了短寡聚物(Para-Fluoro-Anisole)(OPFA)。红外吸收,拉曼散射,光学吸收和热分析(TGA和DTA)技术被用来证明化学结构的合理性,并证明所研究的低聚物的振动和光学性质。此外,进行了基于从头算密度泛函理论(DFT)的理论计算,以阐明OPFA低聚物的结构-性质关系并证明实验观察到的结果。另一方面,使用时间分辨光致发光(TR-PL)光谱研究了它们在氯仿溶液和薄膜状态下的衰减过程。薄膜中PL更快的衰减是构象结构和分子间π-π堆积相互作用的结果。

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