Helically Twisted Tetracene: Synthesis, Crystal Structure, and Photophysical Properties of Hexabenzo[a,c,fg,j,l,op]tetracene
Helically Twisted Tetracene: Synthesis, Crystal Structure, and Photophysical Properties of Hexabenzo[a,c,fg,j,l,op]tetracene
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DOI：
10.1055/s-0035-1561455
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发表时间：
2016-05
期刊：
影响因子：
2
通讯作者：
Yuuta Yano;Hideto Ito;Yasutomo Segawa;K. Itami
中科院分区：
文献类型：
--
作者：
Yuuta Yano;Hideto Ito;Yasutomo Segawa;K. Itami
本文报道了未取代的六苯并[a，c，fg，j，l，op]并四苯的合成、X-射线晶体结构和电子物理性质。与先前报道的叔丁基取代的类似物不同，未取代的六苯并[a，c，fg，j，l，op]并四苯在固态下显示出螺旋扭曲的构象。对可能的构象进行了密度泛函理论计算。
Abstract The synthesis, X-ray crystal structure, and photophysical properties of unsubstituted hexabenzo[a,c,fg,j,l,op]tetracene are described. Unlike the previously reported tert-butyl-substituted analogues, unsubstituted hexabenzo[a,c,fg,j,l,op]tetracene showed a helically twisted conformation in the solid state. Density functional theory calculations on the possible conformers were also studied.