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One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands.
Acta Crystallographica Section C ( IF 0.8 ) Pub Date : 2020-01-01 , DOI: 10.1107/s2053229619016024
Zhi Qiang Shi 1 , Ning Ning Ji 1 , Hai Liang Hu 2
Affiliation  

By employing the conjugated bithiophene ligand 5,5'-bis(1H-imidazol-1-yl)-2,2'-bithiophene (bibp), which can exhibit trans and cis conformations, two different CuII coordination polymers, namely, poly[[μ-5,5'-bis(1H-imidazol-1-yl)-2,2'-bithiophene-κ2N:N'](μ2-4,4'-oxydibenzoato-κ2O:O')copper(II)], [Cu(C14H8O5)(C14H10N4S2)]n or [Cu(bibp)(oba)]n, (I), and catena-poly[μ-aqua-bis[μ-5,5'-bis(1H-imidazol-1-yl)-2,2'-bithiophene-κ2N:N']bis(μ3-4,4'-oxydibenzoato)-κ3O:O':O'';κ4O:O',O'':O'-dicopper(II)], [Cu2(C14H8O5)2(C14H10N4S2)(H2O)]n or [Cu2(bibp)(oba)2(H2O)]n, (II), have been prepared through one-pot concomitant crystallization and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis, powder X-ray diffraction (PXRD) and thermogravimetric (TG) analysis. Single-crystal X-ray diffraction indicates that the most interesting aspect of the structure is the existence of sole trans and cis conformations of the bibp ligand in a single net of (I) and (II), respectively. Compound (I) displays a threefold interpenetrating three-dimensional framework with a 4-connected {65.8} cds topology, whereas (II) features a one-dimensional chain structure. In the crystal of (II), the polymeric chains are further extended through C-H...O hydrogen bonds and C-H...π interactions into a three-dimensional supramolecular architecture. In addition, strong intramolecular O-H...O hydrogen bonds formed between the bridging water molecules and the carboxylate O atoms improve the stability of the framework of (II). Furthermore, solid-state UV-Vis spectroscopy experiments show that compounds (I) and (II) exhibit optical band gaps which are characteristic for optical semiconductors, with values of 2.70 and 2.26 eV, respectively.

中文翻译:

一锅同时制备具有不同构型的联噻吩配体的两种铜(II)配位聚合物。

粉末X射线衍射(PXRD)和热重分析(TG)分析。单晶X射线衍射表明,该结构最有趣的方面是在(I)和(II)的单个网中分别存在bibp配体的唯一反式和顺式构象。化合物(I)显示具有四联{65.8} cds拓扑结构的三重互穿三维框架,而化合物(II)具有一维链结构。在(II)的晶体中,聚合物链进一步通过CH ... O氢键和CH ...π相互作用延伸成三维超分子结构。另外,在桥连的水分子和羧酸的O原子之间形成的强分子内OH ... O氢键改善了(II)的骨架的稳定性。此外,
更新日期:2020-01-01
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