Quinoidal bithiophene as disperse dye: Substituent effect on dyeing performance
Quinoidal bithiophene as disperse dye: Substituent effect on dyeing performance
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喹啉联噻吩作为分散染料：取代基对染色性能的影响
DOI：
10.1016/j.dyepig.2018.01.017
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发表时间：
2018-04-01
影响因子：
4.5
通讯作者：
Chen, Weiguo
中科院分区：
文献类型：
--
作者：
Jiang, Hua;Zhang, Li;Chen, Weiguo
合成了一系列在红外区具有较高吸收系数的奎诺型联噻吩染料QBT1-QBT7，并将其用作分散染料，考察了它们对聚对苯二甲酸乙二酯织物的染色性能。对其染色性能进行了研究，包括颜色表现、上染率、上染率、提升率和牢度等。量子化学密度泛函理论(DFT)计算表明，由于具有较高的结构平面度，存在较大的QBT-苯相互作用能和QBT-QBT相互作用能。通过密度泛函理论计算研究了取代基效应。建议了合适的烷基和可控的空间位阻，以促进单一染料分子的形成和染料在纤维表面和内部的扩散。结果表明，端基为两个(N)丁基的QBT6具有最佳的整体染色性能。本研究为基于藜芦醇结构的新型分散染料的合理设计提供了初步建议。
A series of quinoidal bithiophene (QBT) dyes, namely QBT1-QBT7, which exhibit high absorption coefficients in the red spectral region, were synthesized and used as disperse dyes to examine their ability for dyeing poly (ethylene terephthalate) fabric. The dyeing properties, such as color representation, dye exhaustion, dyeing rate, build-up and fastness properties were investigated. Quantum chemical density functional theory (DFT) calculation suggested that there are much larger QBT-benzene interaction energy and QBT-QBT interaction energy due to the high quinoidal structural planarity. Substituent effect was also studied by DFT calculation. Suitable alkyl groups with controlled steric hindrance were suggested to facilitate the formation of single dye molecule and dye diffusion on the fiber surface and inside. As a result, QBT6 with two (n)butyl groups as end groups gave the best overall dyeing performance. This study provides a preliminary suggestion for the rational design of new disperse dyes based on quinoidal structure.