分子内力
点击化学
接受者
密度泛函理论
聚合
电化学
光化学
三唑
共聚物
材料科学
组合化学
化学
计算化学
物理化学
电极
立体化学
有机化学
聚合物
物理
凝聚态物理
作者
Ali Buyruk,Mehmet Çınar,Mehmet S. Eroğlu,Turan Öztürk
标识
DOI:10.1002/slct.201600697
摘要
In this work, donor−acceptor (D−A) copolymers of thienothiophenes and dithienothiophenes, having 1,2,3-triazole units were prepared via a click reaction. Their optoelectronic properties were explored systematically providing the optical and electrochemical band gaps varying from 2.2 to 2.8 eV. Density functional theory (DFT) investigations of the model compounds revealed the presence of an intramolecular charge transfer transition between the donor TT/DTT units and 1,2,3-triazole acceptor group.
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