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Highly fluorescent blue-green emitting phenanthroimidazole derivatives: Detail experimental and DFT study of structural and donating group effects on fluorescence properties
Dyes and Pigments ( IF 4.1 ) Pub Date : 2018-06-20 , DOI: 10.1016/j.dyepig.2018.06.020
Shantaram Kothavale , Sulochana Bhalekar , Nagaiyan Sekar

A series of highly fluorescent blue-green emitting phenanthrene and 3,6-diphenylphenanthrene based compounds have been synthesized to study the effect of different electron donating groups on photophysical properties. A very unique and different fluorescence properties are observed in the case of N-phenyl carbazole donor based compounds as compared to the other electron donating groups. Observed intramolecular charge transfer and highly polar excited states of these compounds are elucidated by Lipert-Mataga correlations. The positive and negative solvatochromism observed from non-polar to polar solvents is also supported using Kamlet-Taft and Catalan multilinear regression analysis. Comparative study of photophysical properties between benzil, phenanthrene and 3,6-diphenylphenanthrene based hydroxyl imidazole derivatives is presented to study the effect of rigidity and extended conjugation. Observed experimental results are also correlated theoretically using Density Functional theory computations.



中文翻译:

高荧光蓝绿色发射菲并咪唑衍生物:结构和给体基团对荧光性质的影响的详细实验和DFT研究

合成了一系列高荧光的蓝绿色发射菲和3,6-二苯基菲基化合物,以研究不同的供电子基团对光物理性质的影响。与其他给电子基团相比,在基于N-苯基咔唑给体的化合物中观察到非常独特且不同的荧光特性。Lipert-Mataga相关性阐明了这些化合物的分子内电荷转移和高极性激发态。使用Kamlet-Taft和Catalan多线性回归分析还可以支持从非极性溶剂到极性溶剂观察到的正负溶剂溶变色。苯,菲和3的光物理性质的比较研究,提出了基于6-二苯基菲的羟基咪唑衍生物,以研究刚性和扩展的共轭作用。观察到的实验结果也使用密度泛函理论计算在理论上进行关联。

更新日期:2018-06-20
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