Synthesis and Solid-State Structures of a Tetrathiafulvalene- Conjugated Bistetracene
Synthesis and Solid-State Structures of a Tetrathiafulvalene- Conjugated Bistetracene
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四硫富瓦烯共轭双四苯的合成和固态结构
DOI：
10.1002/chem.201304997
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发表时间：
2014
期刊：
影响因子：
--
通讯作者：
and Hiroko Yamada
中科院分区：
文献类型：
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作者：
Masataka Yamashita;Daiki Kuzuhara;Naoki Aratani;and Hiroko Yamada
合成了一种四硫富瓦烯（TTF）共轭双并四苯，并通过光谱测量和单晶X射线衍射分析对其电子结构进行了表征. 5的紫外/维斯吸收和电化学测量揭示了通过键和/或通过空间相互作用在两个并四苯二硫醇单元之间的相当大的电子通信。5的晶体堆积结构的差异，表现出多态性，导致多种分子间电子耦合模式。其中，5A的π堆叠结构给出了大的HOMO转移积分（97 meV），该值超过了并六苯和红荧烯，因此，非常有利于实现高空穴迁移率。
A tetrathiafulvalene (TTF)‐conjugated bistetracene was synthesized and characterized in the molecular electronic structures based on the spectroscopic measurements and the single‐crystal X‐ray diffraction analysis. UV/Vis absorption and electrochemical measurements of5revealed the considerable electronic communication between two tetracenedithiole units by through‐bond and/or through‐space interactions. The difference in the crystal‐packing structures of5, showing polymorphism, results in a variety of intermolecular electronic‐coupling pattern. Of these, the π‐stacking structure of5Agave a large transfer integral of HOMOs (97 meV), which value is beyond hexacene and rubrene, thus, quite beneficial to achieve the high hole mobility.