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两种含N,O-螯合配体的新型氯化镉配位聚合物的合成、超分子网络、 Hirshfeld表面及热分析

Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an N,O-chelating ligand.

作者信息

Bouchene Rafika, Bouacida Sofiane

机构信息

Département Sciences de la matière, Faculté des Sciences exactes et Sciences de la nature et de la vie, Université Larbi Ben M'hidi, Oum El Bouaghi, Algeria.

出版信息

Acta Crystallogr C Struct Chem. 2019 Feb 1;75(Pt 2):120-127. doi: 10.1107/S2053229618018132. Epub 2019 Jan 18.

Abstract

Two new coordination polymers, namely poly[[(3-aminopyrazin-4-ium-2-carboxylate-κN,O)di-μ-chlorido-cadmium(II)] monohydrate], {[CdCl(CHNO)]·HO}, (1), and poly[2-amino-3-carboxypyrazin-1-ium [(3-aminopyrazine-2-carboxylato-κN,O)di-μ-chlorido-cadmium(II)] monohydrate], {(CHNO)[Cd(CHNO)Cl]·HO}, (2), have been synthesized from the reaction of cadmium(II) chloride and 3-aminopyrazine-2-carboxylic acid (Hapca) under mild conditions in acidic media. The two coordination polymers have been characterized by single-crystal X-ray diffraction and show chloride-bridged zigzag chains with octahedrally coordinated metal ions, where Hapca acts as a bidentate ligand via the π-conjugated N atom and a carboxylate O atom. The chains are further interconnected via noncovalent interactions into three-dimensional supramolecular networks. The dominant H...O and H...Cl interactions for both compounds were quantified using Hirshfeld surface analysis. The thermal stability and topological analysis of the two-dimensional networks of (1) and (2) are also discussed.

摘要

两种新型配位聚合物,即聚[[(3-氨基吡嗪-4-鎓-2-羧酸盐-κN,O)二-μ-氯镉(II)]一水合物],{[CdCl(CHNO)]·HO},(1),以及聚[2-氨基-3-羧基吡嗪-1-鎓[(3-氨基吡嗪-2-羧酸盐-κN,O)二-μ-氯镉(II)]一水合物],{(CHNO)[Cd(CHNO)Cl]·HO},(2),是在酸性介质中温和条件下由氯化镉(II)与3-氨基吡嗪-2-羧酸(Hapca)反应合成的。这两种配位聚合物通过单晶X射线衍射进行了表征,显示出具有八面体配位金属离子的氯化物桥连锯齿链,其中Hapca通过π共轭N原子和羧酸盐O原子作为双齿配体。这些链通过非共价相互作用进一步相互连接成三维超分子网络。使用Hirshfeld表面分析对两种化合物的主要H...O和H...Cl相互作用进行了量化。还讨论了(1)和(2)的二维网络的热稳定性和拓扑分析。

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