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Tuning Luminescence and Conductivity through Controlled Growth of Polymorphous Molecular Crystals
Advanced Electronic Materials ( IF 6.2 ) Pub Date : 2017-06-23 , DOI: 10.1002/aelm.201700132
Songhua Chen 1, 2 , Huibiao Liu 1, 2 , Yongjun Li 1, 2 , Dan Li 3 , Yuliang Li 1, 2
Affiliation  

Clear structure–property correlation is of crucial importance for molecular materials for optical and electronic application. Here, a new intramolecular charge transfer compound (E)‐2‐{4‐[4‐(9H‐carbazol‐9‐yl)styryl]benzylidene}malononitrile (TCBR) with a dicyanovinyl group as the electron acceptor and a carbazole group as the electron donor is designed and synthesized. Four different single crystals based on the cis and trans isomeric forms of this compound are grown simultaneously, which are both kinetically and thermodynamically stable. The different packing modes give rise to a dynamic crystal structure change, leading to dramatically different optical and electronic properties. The closer packing can effectively promote the π–π interactions to increase the exciton coupling and orbital overlap between neighbor molecules in crystals, which produces a redshift fluorescence emission and good conductivity. This permits one to tune the packing molecules in the solid state to specific applications in a more precise way. The results of this study highlight the power of designing new functional molecules for optical and electronic applications.

中文翻译:

通过控制多态性分子晶体的生长来调节发光和电导率

清晰的结构-特性相关性对于光学和电子应用中的分子材料至关重要。在这里,一种新的分子内电荷转移化合物(E)-2- {4- [4-(9 H-咔唑-9-基)苯乙烯基]亚苄基}丙二腈(TCBR),带有双氰基乙烯基作为电子受体和咔唑基电子供体的设计和合成。基于顺式反式的四种不同单晶该化合物的异构形式同时生长,在动力学和热力学上均稳定。不同的堆积模式会引起动态晶体结构变化,从而导致极大的光学和电子特性差异。紧密堆积可以有效地促进π-π相互作用,从而增加晶体中相邻分子之间的激子耦合和轨道重叠,从而产生红移荧光发射和良好的电导率。这允许人们以更精确的方式将固态的堆积分子调节到特定的应用。这项研究的结果突出了为光学和电子应用设计新功能分子的能力。
更新日期:2017-06-23
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