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首页> 外文期刊>Research on Chemical Intermediates >Synthesis, structural characterization, and Hirshfeld surface analysis of three cocrystals based on flexible bis(benzimidazole) derivatives with aromatic carboxylic acids
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Synthesis, structural characterization, and Hirshfeld surface analysis of three cocrystals based on flexible bis(benzimidazole) derivatives with aromatic carboxylic acids

机译：基于柔性羧酸的柔性双（苯并咪唑）衍生物的三个Colystals的合成，结构表征和HiRshfeld表面分析

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摘要

Based on 1,3-bis(2-methylbenzimidazole)propane (L1), 1,4-bis(2-methylbenzimidazole)butane (L2) and 1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene (L3) with aromatic carboxylic acids, three cocrystals, [(H(2)L1)(2+)center dot 2(H(2)btrc)(1-)] (1), [(H(2)L2)(2+)center dot(H(2)btec)(2-)center dot 2H(2)O] (2) and [(H(2)L3)(2+)center dot(H(2)btec)(2-)] (3) (H(3)btrc = 1,2,4-benzenetricarboxylic acid, H(4)btec = 1,2,4,5-benzenetetracarboxylic acid) were synthesized in solution and obtained by slow evaporation. All solid products were characterized by elemental analyses, IR spectra, and single-crystal X-ray diffraction. Components of the crystalline phase have also been investigated in terms of Hirshfeld surfaces. The bis(benzimidazole) derivatives interlinked with aromatic carboxylates through intermolecular H-bonding and pi-pi interactions generate diverse 3D supramolecular networks for 1, 2, and 3. The Hirshfeld surfaces and 2D fingerprint plots of three cocrystals show that 1-3 are stabilized by N-H center dot center dot center dot O, O-H center dot center dot center dot O, and pi-pi intermolecular interactions. The thermal stabilities and photoluminescence properties for cocrystals 1-3 were presented in the solid state.
机译：基于1,3-双（2-甲基双咪唑）丙烷（L1），1,4-双（2-甲基双咪唑）丁烷（L2）和1,4-双（2-甲基苯并咪唑-1-基甲基）苯（L3）用芳族羧酸，三个聚晶，[（H（2）L1）（2+）中心点2（H（2）BtrC）（1-）]（1），[（H（2）L2）（2+ ）中心点（H（2）Btec）（2-）中心点2H（2）O]（2）和[（H（2）L3）（2+）中心点（H（2）Btec）（2- ）]（3）（H（3）BTRC = 1,2,4-苯齐缩羧酸，在溶液中合成H（4）BTEC = 1,2,4,5-苯甲酸）并通过缓慢蒸发获得。所有固体产物的特征在于元素分析，IR光谱和单晶X射线衍射。还在Hirshfeld表面上研究了结晶相的组分。双（苯并咪唑）衍生物通过分子间H键合和PI-PI相互作用与芳族羧酸盐相互连接，产生不同的3D超分子网络1,2和3.三个COCrystals的Hirshfeld表面和2D指纹曲线表明1-3稳定由NH中心点中心点中心点O，OH中心点中心点中心点O和PI-PI分子间相互作用。在固态中呈现了聚碳酸1-3的热稳定性和光致发光性质。

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