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Effect of alkoxy-spacer length and solvent on diluted solutions of cationic isothiouronium polythiophenes

机译:烷氧基间隔基长度和溶剂对阳离子异硫脲鎓聚噻吩稀释溶液的影响

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This contribution presents a study on two cationic isothiouronium polythiophenes (poly-3-(N,N-diethyl-S-iso-thiouronium)alkoxy-4-methyl thiophene), with alkoxy chains of different length in the 3-position of the thiophene ring, results of steady-state absorption and fluorescence spectroscopies in four solvents of different polarities: protic water, protic–protic water–isopropanol, protic–aprotic water–tetrahydrofuran and protic–non polar water–1,4-dioxane (all mixtures 0.5 v/v) are presented. Molar absorption coefficient (ε), quantum yield (?f), spectral maxima (λmax, λem) and Stokes shift (Δν) are presented, and the effect of solvents on these parameters is discussed. Empirical optical and electrochemical energy levels were estimated using drop cast films on glass and on glassy carbon electrode, respectively. Density functional theory was used to gain supporting structural, energy and electronic information of different oligomers, simulating solvents of different polarity.
机译:该贡献提出了对两种阳离子异硫脲鎓聚噻吩(poly-3-( N N -二乙基- S -异硫脲鎓)烷氧基的研究-4-甲基噻吩),在噻吩环的3位上具有不同长度的烷氧基链,是四种极性不同的溶剂(质子水,质子-质子水-异丙醇,质子化)中的稳态吸收和荧光光谱的结果介绍了–非质子水–四氢呋喃和质子–非极性水– 1,4-二恶烷(所有混合物0.5 v / v)。摩尔吸收系数(ε),量子产率( f ),光谱最大值(λ< / em> max λ em )和斯托克斯频移(Δν),并讨论了溶剂对这些参数的影响。分别使用玻璃和玻璃碳电极上的滴铸薄膜估算了经验的光学和电化学能级。密度泛函理论用于模拟不同极性的溶剂,从而获得不同低聚物的结构,能量和电子信息。

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