Control of face-to-face π-π stacked packing arrangement of anthracene rings via chalcogen-chalcogen interaction:: 9,10-bis(methylchalcogeno)anthracenes
Control of face-to-face π-π stacked packing arrangement of anthracene rings via chalcogen-chalcogen interaction:: 9,10-bis(methylchalcogeno)anthracenes
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DOI：
10.1021/cm051874t
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发表时间：
2005-12-27
影响因子：
8.6
通讯作者：
Yamaguchi, K
中科院分区：
文献类型：
--
作者：
Kobayashi, K;Masu, H;Yamaguchi, K
通过 X 射线晶体学分析揭示了 9, 10-二甲氧基蒽 (1)、9, 10-双(甲硫基)蒽 (2) 和 9, 10-双(甲基碲)蒽 (3) 的晶体堆积结构作为并苯的分子排序模型。化合物 1 以类似于蒽的人字形堆积图案排列。相比之下，化合物 2 通过具有 S-S 相互作用的面对面 pi-pi 堆叠排列。面对面堆叠形成的2个蒽柱彼此平行，并通过S-S相互作用连接，自组装成二维网络片。所得的二维网络片以偏移方式彼此平行排列。化合物 3 通过 Te-Te 相互作用的面对面 pi-pi 堆积排列，伴随 Te-pi 相互作用，产生类似于 2 的二维网络片。因此，硫族元素-硫族元素相互作用在 9,10-双(甲基硫属元素)蒽 2 和 3 的面对面 pi-pi 堆积排列中起着重要作用。与 2 相比，相邻的 2-D 网络片3 个以大倾斜角相互堆积（伽玛基序）。还描述了{[2(3)中心点2(Ag+)]中心点(NO3-)}中心点(NO3-)的自组装环芳网络结构。
Crystal packing structures of 9, 10-dimethoxyanthracene (1), 9, 10-bis(methylthio)anthracene (2), and 9, 10-bis(methyltelluro)anthracene (3) were revealed by X-ray crystallographic analysis as models for the molecular ordering of acenes. Compound 1 is arranged in a herringbone packing motif similar to anthracene. In contrast, compound 2 is arranged by face-to-face pi-pi stacking with S-S interactions. The anthracene columns of 2 formed by face-to-face stacking are parallel to each other and are linked by the S-S interactions to self-assemble into a 2-D network sheet. The resulting 2-D network sheets are packed parallel to each other in an offset manner. Compound 3 is arranged by face-to-face pi-pi stacking with Te-Te interactions, concomitant with Te-pi interactions, to produce a 2-D network sheet similar to 2. Thus, the chalcogen-chalcogen interaction plays an important role in the face-to-face pi-pi stacking arrangement of 9,10-bis(methylchalcogeno)anthracenes 2 and 3. In contrast to 2, the neighboring 2-D network sheets of 3 are packed to each other with large tilt angle (gamma-motif). The self-assembling cyclophane-network structure of {[2(3)center dot 2(Ag+)]center dot(NO3-)}center dot(NO3-) is also described.