芳基稠合四噻吩基萘（TTN）：合成，结构，性质和与富勒烯的共晶体<a href="#fn1" title="提供电子补充信息（ESI）：化合物的表征，理论计算，附加的光学和电化学光谱，晶体结构。 CCDC 1492704–1492716。有关CIF或其他电子格式的ESI和晶体学数据，请参见DOI：10.1039 / c6ra18945h">†</a>,RSC Advances

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芳基稠合四噻吩基萘（TTN）：合成，结构，性质和与富勒烯的共晶体 †
RSC Advances ( IF 3.9 ) Pub Date : 2016-08-16 00:00:00 , DOI: 10.1039/c6ra18945h
Yantao Sun _{1,

2,

3} , Zili Cui _{1,

2,

3} , Lichuan Chen _{1,

2,

3} , Xiaofeng Lu _{1,

2,

3} , Yuewei Wu _{1,

2,

3} , Hao-Li Zhang _{1,

2,

3} , Xiangfeng Shao _{1,

2,

3}

Affiliation

1,4,5,8-四硫代萘（TTN）是四硫富瓦烯（TTF）的结构异构体。在本文中，标题的芳基稠合的TTN（TTN1-TTN9）是通过二倍的Cu催化的C-S偶联反应从硫醇锌复合物（TBA）₂ [Zn（DMIT）₂ ]合成的。这些TTN可以通过与FeCl ₃反应转化为相应的芳基稠合的TTF异构体。通过吸收光谱，电化学和理论计算研究了这些TTN的电子性质，这表明这些TTN与其TTF异构体相比显示出较弱的给电子能力。晶体学分析表明这些TTN具有椅子样构型，即具有两个与富勒烯分子互补的曲面。因此，这些TTN显示出对C ₆₀ / C _70的强亲和力以形成共晶体。在共晶体中，富勒烯分子通过多个分子间原子接触被TTN分子的曲面包裹。尽管TTN与富勒烯分子之间的相互作用模式非常相似，但可以通过改变溶剂来微调共晶的堆积模式。此外，富勒烯分子形成紧密的堆叠，如柱状阵列或二维薄片。

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Aryl-fused tetrathianaphthalene (TTN): synthesis, structures, properties, and cocrystals with fullerenes†

1,4,5,8-Tetrathianaphthalene (TTN) is the structural isomer of tetrathiafulvalene (TTF). Herein, the title aryl-fused TTNs (TTN1–TTN9) have been synthesized from a zinc–thiolate complex (TBA)₂[Zn(DMIT)₂] via a two-fold Cu-catalyzed C–S coupling reaction. These TTNs can be transformed into the corresponding aryl-fused TTF isomers by reaction with FeCl₃. The electronic properties of these TTNs were studied by absorption spectroscopy, electrochemistry, and theoretical calculations, which reveal that these TTNs show weak electron donating ability as compared with their TTF isomers. Crystallographic analyses indicate that these TTNs take the chair-like conformation, i.e., having two curved surfaces that are of shape complementary to fullerene molecules. Consequently, these TTNs show strong affinity toward C₆₀/C₇₀ to form cocrystals. In the cocrystals, the fullerene molecules are encapsulated by the curved surfaces of TTN molecules through multiple intermolecular atomic contacts. While the interaction modes between TTNs and fullerene molecules are very similar, the packing patterns of the cocrystals can be finely tuned by varying the solvents. Moreover, the fullerene molecules form tight stacks as column arrays or two-dimensional sheets.

更新日期：2016-08-16

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