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合成了配位聚合物[Cu(MB)(DMF)(H2O)2(μ-SO4)]n(MB为苯并咪唑),采用元素分析和紫外-可见光谱进行了表征,并用X射线衍射法测定了其晶体结构。该晶体属于斜方晶系,P n21a空间群;晶胞参数:a=24.2574(5),b=17.7364(5),c=7.0006(2),V=3011.94(14)3,Dc=1.706Mg/m3,Z=8,F(000)=1592,μ=1.63 mm-1,S=1.03,(Δ/σ)max=0.001,R1=0.039,wR2=0.0822[I>2σ(I)]。晶体结构解析表明,配位聚合物[Cu(MB)(DMF)(H2O)2(μ-SO4)]n的每个结构单元存在两个不对称的子单元,每个子单元包括1个Cu(II)原子、1个苯并咪唑、1个DMF、1个SO24-和2个H2O分子;Cu(II)原子与苯并咪唑的1个N原子、DMF中的1个O原子、2个H2O分子中的2个O原子,1个SO24-分子中的2个O原子形成八面体六配位结构,Cu(II)原子位于八面体的中心,SO24-为桥联配体,整个Cu(II)为拉长的八面体,其中O1、O5和O11、O12分别位于轴向位置。两个子单元通过氢键作用形成二聚体。通过SO24-桥联两个Cu(II)和分子间氢键作用形成沿c轴的一维结构。一维链通过链间氢键作用,形成三维的网状结构。
The coordination polymer [Cu (MB) (DMF) (H2O) 2 (μ-SO4)] n (MB is benzimidazole) was synthesized and characterized by elemental analysis and UV- The crystal structure was determined. The crystal belongs to the orthorhombic system Pn21a space group; cell parameters: a = 24.2574 (5) , b = 17.7364 5, c = 7.0006 2, V = 3011.94 143, (Δ / σ) max = 0.001, R1 = 0.039, wR2 = 0.0822 [I> 2σ (Dc = 1.706Mg / m3), Z = 8, F (000) = 1592, μ = 1.63 mm-1, I)]. The crystal structure analysis shows that there exist two asymmetric subunits for each structural unit of the coordination polymer [Cu (MB) (DMF) (H2O) 2 (μ-SO4)] n and each subunit includes one Cu II) atom, one benzimidazole, one DMF, one SO24- and two H2O molecules; one N atom of the Cu (II) atom and benzimidazole, one O atom in the DMF, two H2O Two O atoms in a molecule and two O atoms in a SO24- molecule form an octahedral hexacoordination structure, the Cu (II) atom is located in the center of the octahedron, SO24- is a bridge ligand, and the entire Cu (II ) For the elongated octahedron, where O1, O5 and O11, O12 are located in the axial position. Two subunits form dimers through hydrogen bonding. A one-dimensional structure along the c-axis is formed by SO24-bridging two Cu (II) and intermolecular hydrogen bonding. The one-dimensional chain functions as a three-dimensional network by hydrogen bonding between the chains.