Raman Spectra of Electrosynthesized Polyfuran: A Combined Experimental and Theoretical Study
Raman Spectra of Electrosynthesized Polyfuran: A Combined Experimental and Theoretical Study
复制标题
DOI：
10.1021/jp036262f
复制
发表时间：
2004-01
影响因子：
3.3
通讯作者：
Chen Liu;Jiaxin Zhang;G. Shi;Yufen Zhao
中科院分区：
文献类型：
--
作者：
Chen Liu;Jiaxin Zhang;G. Shi;Yufen Zhao
在三氟化硼-乙醚(体积比为1：1)的混合电解液中，通过呋喃的直接氧化，在光滑的铂或金电极上电化学沉积了聚呋喃(PFU)薄膜。研究了薄膜的掺杂态和脱掺态的拉曼光谱。实验结果表明，掺杂态PFU的拉曼光谱与中性PFU的拉曼光谱不同。从掺杂PFU的光谱中观察到与氧化物种有关的五个谱带，并通过现场拉曼光谱、电化学研究、微共聚焦拉曼光谱和表面增强拉曼散射技术进行了确认。用Gaussian98程序在B3LYP/6-31G*水平上计算了掺杂态和非掺杂态PFU的拉曼光谱，计算结果与记录的拉曼光谱符合较好。在这些计算的基础上，指定了与PFU的氧化物种相关的谱带。
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 trifluoride diethyl etherate and ethyl ether (1:1, by volume). The Raman spectra of the obtained films, both in the doped and dedoped states, were studied. Experimental results demonstrated 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 situ Raman spectroelectrochemical study, microconfocal Raman spectroscopy, and surface-enhanced Raman scattering techniques. The Raman spectra of Pfu in both doped and dedoped states also have been calculated with the Gaussian 98 program at the B3LYP/6-31G* level, and the results are in good agreement with the recorded Raman spectra. Based on these calculations, the bands associated with the oxidized species of Pfu were assigned.