论文部分内容阅读
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射线粉末衍射对其进行了结构表征,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=1.808g·cm-3,μ=4.505mm-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2个Cu(II)离子通过2个2-溴苯甲酸根配体单齿桥联。配合物中的每个Cu(II)离子为五配位的结构,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。
The binuclear copper (II) complex Cu2 (2,2’-bipyridine) was synthesized by the reaction of 2-bromobenzoic acid and 2,2’-bipyridine in the mixed solvent of methanol and water at room temperature bpy) 2 (2-bba) 4. Its structure was characterized by elemental analysis, infrared spectroscopy, thermogravimetry and X-ray powder diffraction. The crystal structure was also confirmed by X-ray single crystal diffraction analysis. The results show that the crystal belongs to the orthorhombic system and the space group is Pbca. The unit cell parameters are a = 20.619 (4) , b = 10.098 (2) , c = 21.865 (4) and V = 4552.5 3, Dc = 1.808g · cm-3, μ = 4.505mm-1, F (000) = 2440.0, Z = 4 and the final residual factor R1 = 0.0583, wR2 = 0.1200. The complex is a dinuclear structure and two Cu (II) ions in each structural unit are bridged by two 2-bromobenzoate ligands. Each Cu (II) ion in the complex has a five-coordinate structure and two oxygen atoms of 2-bromobenzoate bridged from two single-dentate bridges, respectively, and one monodentate coordinated 2-bromo One oxygen atom of benzoate and two nitrogen atoms from one 2,2’-bipyridine coordinate to form a distorted tetragonal pyramidal structure, and molecules are formed through a weak C-H ... O hydrogen bonding One-dimensional chain structure. CCDC: 972827.