| 孟跃,高杨,赵明星,倪生良.化学通报,2014,77(8):809-813. |
| 双核铜配合物Cu2(2,2′-bpy)2(2-bba)4的合成、表征与晶体结构 |
| Synthesis, Characterization and Crystal Structure of Binuclear Copper(II) Complex Cu2(2,2′-bpy)2(2-bba)4 |
| 投稿时间：2014-01-15 修订日期：2014-02-19 |
| DOI： |
| 中文关键词: 双核铜配合物 2-溴苯甲酸 晶体结构 |
| 英文关键词:copper(II) complex,2-bromobenzoic acid,crystal structure |
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| 中文摘要: |
| 在室温下，以2-溴苯甲酸和2,2′-联吡啶为配体，通过溶液法在甲醇/水的混合溶剂中反应合成了双核铜(II)配合物Cu2(2,2′-bpy)2(2-bba)4。通过元素分析、红外光谱、热重测试技术和X射线粉末衍射对标题配合物进行了结构表征，同时用X射线单晶衍射分析确定了其晶体结构。结果表明，其晶体属正交晶系，空间群为Pbca，晶胞参数：a = 20.619(4) ?，b = 10.098(2) ?，c = 21.865(4) ?，V = 4552.5(15) ?3，Dc = 1.808 g?cm–3，μ = 4.505 mm–1，F(000) = 2440.0，Z = 4，最终残差因子R1 = 0.0583，wR2 = 0.1200。配合物为双核结构，每个结构单元中两个铜(II)离子通过两个2-溴苯甲酸根配体单齿桥联。配合物中的每个铜(II)离子为5配位的结构，分别和来自2个单齿桥联的2-溴苯甲酸根的2个氧原子、1个单齿配位的2-溴苯甲酸根的1个氧原子及来自1个2,2′-联吡啶的2个氮原子配位形成了畸变的四方锥型结构，分子间则通过弱的C–H…O 氢键作用形成了一维链状的结构。CCDC: 972827。 |
| 英文摘要: |
| A binuclear copper(II) complex, Cu2(2,2′-bpy)2(2-bba)4, was synthesized with 2-bromobenzoic acid and 2,2′-bipyridine in methanol-water mixed solutions at room temperature. It was characterized by elemental analysis, infrared spectra, thermo-gravimetric analysis and powder X-ray diffraction. Its crystal structure was determined by single crystal X-ray diffraction analysis．The results revealed that the title complex belonged to orthorhombic with Pbca space group a = 20.619(4) ?，b = 10.098(2) ?，c = 21.865(4) ?, V = 4552.5(15) ?3，Dc = 1.808 g?cm–3，μ = 4.505 mm–1，F(000) =2440.0，Z = 4, R1 = 0.0583，wR2 = 0.1200。In each asymmetric unit，two copper(II) ions were linked by two 2-bromobenzoic acid ligands in bridging-unidentate, each copper (II) ion was five-coordinated with two oxygen atoms of two bridging-unidentate 2-bromobenzoic acid, one oxygen atom of one monodentate 2-bromobenzoic acid and two nitrogen atoms of one 2,2′-bipyridine ligands forming a distorted square pyramid geometry．Weak intermolecular C–H…O hydrogen bonds link the binuclear copper(II) complex into one-dimensional chain. CCDC: 972827. |
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