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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Raman spectra of electrosynthesized polyfuran:A combined experimental and theoretical study
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Raman spectra of electrosynthesized polyfuran:A combined experimental and theoretical study

机译:电合成聚呋喃的拉曼光谱:实验与理论研究相结合

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Polyfuran (Pfu) films have been electrochemically deposited on slick platinum or gold electrodes via the direct oxidation of furan in a mixed electrolyte of boron trifluoriee diethyl etherate and ethyl ether (1:1,by volume).The raman spectra of the obtained films,both in the doped and dedopes states,wer studied.Experimental results demponstrated that the Raman spectrum of Pfu in the doped state was different from that of neutral pfu.five bands related to the oxidized species were observed from the spectrum of doped pfu and confirmed by in situs Raman spectroelectrochemical study,microconfocal raman spectroscopy,and surfaceenhanced raman scattering techniques.The raman spectra of pfu in both doped and dedoped states also have been calcuated with the Guassian 98 program at the B3LYP/6-31G~* level,and the results are in good agreement with the recorded raman specta.based on these calcuations,the bands associated with the oxidized species of pfu were assigned.
机译:聚呋喃(Pfu)膜通过呋喃在三氟硼酸二乙酯和乙醚的混合电解质(体积比为1:1)中的直接氧化而电化学沉积在光滑的铂或金电极上。实验结果表明,掺杂状态下Pfu的拉曼光谱不同于中性pfu。从掺杂的pfu光谱中观察到五个与氧化物种有关的谱带,并由证实在位置拉曼光谱电化学研究,微焦拉曼光谱和表面增强拉曼散射技术中。还使用Guassian 98程序在B3LYP / 6-31G〜*水平上计算了掺杂状态和去掺杂状态下pfu的拉曼光谱,并得出了结果。与这些记录的拉曼光谱非常吻合。根据这些计算,确定了与pfu氧化物种相关的谱带。

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