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首页> 外文期刊>Crystal growth & design >Hydrogen bond-directed frameworks based on 1,2,4,5-benzene-tetracarboxylate
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Hydrogen bond-directed frameworks based on 1,2,4,5-benzene-tetracarboxylate

机译：基于1,2,4,5-苯四羧酸酯的氢键导向骨架

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摘要

The deprotonated forms of 1,2,4,5-benzenetetracarboxylic acid H(4)bta can act not only as hydrogenbond acceptors but also as hydrogen-bond donors, depending on the deprotonated carboxyl groups given different supramolecular adducts. A search of the Cambridge Structural Database (CSD) of cocrystal structures of H(4)bta with L = 4,4'-bpy or bpe has found three different adducts: [HL](2)[H(2)bta], [H2L][H(2)bta], and [H2L][H(3)bta], where cocrystal structures of [HL](2)[H(2)bta] with L = 4,4'-bpy or bpe form similar supramolecular arrangements. To investigate this similarity, two new organic salts of the formula {[H-2-4,4'-bpy][H(2)bta]} - 2H(2)O (1) and {[H(2)bpe] [H(3)bta](2)} - 4H(2)O (2) have been characterized. In the 1:1 adduct 1, the molecular components are linked by hydrogen bonds of the N-H---O type creating chains. These chains are further linked by C-H---O type interactions (C-H from the cation and O from the anion) creating a two-dimensional motif. Two types of centrosymmetric rings are evident in the sheets. The stacked sheets are held together via π---π interactions to create a three-dimensional network. Two types of channels, one hydrophilic and the other hydrophobic, run parallel to the a-axis. Water molecules are hydrogen bonded in the hydrophilic channels. The supramolecular structure in the 2:1 adduct 2 is due to hydrogen bonds of the O-H---O and N-H---O types that afford a railroad network along the a-axis. Two water molecules are held in the railroad cavities by hydrogen bonds with carboxylate oxygen atoms. Adjacent railroad chains are linked through hydrogen bonds involving water molecules, building a two-dimensional structure.
机译：1,2,4,5-苯四甲酸H（4）bta的去质子化形式不仅可以充当氢键受体，还可以充当氢键供体，具体取决于给定的超分子加合物的去质子化的羧基。对L = 4,4'-bpy或bpe的H（4）bta共晶体结构的剑桥结构数据库（CSD）的搜索发现了三种不同的加合物：[HL]（2）[H（2）bta]， [H2L] [H（2）bta]和[H2L] [H（3）bta]，其中[HL]（2）[H（2）bta]的共晶体结构，L = 4,4'-bpy或bpe形成类似的超分子排列。为了研究这种相似性，分子式为{[H-2-4,4'-bpy] [H（2）bta}}-2H（2）O（1）和{[H（2）bpe [H（3）bta（2）}-4H（2）O（2）已经被表征。在1：1加合物1中，分子成分通过N-H --- O型产生链的氢键连接。这些链通过C-H--O型相互作用（阳离子的C-H和阴离子的O）进一步连接，从而形成二维基序。片中明显有两种类型的中心对称环。堆叠的纸张通过π---π相互作用保持在一起以创建三维网络。两种类型的通道（一种为亲水通道，另一种为疏水通道）平行于a轴。水分子通过氢键键合在亲水通道中。 2：1加合物2中的超分子结构归因于O-H --- O和N-H --- O型氢键，它们沿a轴提供了铁路网络。两个水分子通过与羧酸氧原子的氢键固定在铁道腔中。相邻的铁路链通过涉及水分子的氢键相连，从而建立了二维结构。

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