新型一维配位聚合物{[Cu(4,4′-bipy)Cl]_n}的溶剂热合成及其晶体结构

Synthesis and Crystal Structure of Novel One-dimensional Coordination Polymer{[Cu(4,4′-bipy)Cl]_n}

以4,4′-联吡啶(4,4′-bipy)和CuCl2·2H2O为原料,用溶剂热法合成了新型一维配位聚合物——[Cu(4,4′-bipy)Cl]n(1),其结构经IR,元素分析和X-射线单晶衍射表征。1属于四方晶系,I41/acd空间群,晶胞参数:a=1.418 25(8)nm,b=1.418 25(8)nm,c=3.855 60(4)nm,V=7.755 2(10)nm3,Z=32,Mr=255.18g.mol-1,Dc=1.748 g.cm-3,μ=2.48 mm-1,F(000)=4 096,R1=0.030 6,wR2=0.085 5,S=1.04。1中Cu+分别与两个4,4′-bipy上的一个N原子配位以及两个端基氯原子配位,形成了四面体配位几何构型。分子内Cu┈Cu间的距离为0.274 7(1)nm。在a+c轴方向,通过4,4′-bipy桥联作用形成二维层状网格,层与层通过互穿插形成三维结构。二维层可以简化为一个4.82拓扑。

A novel one-dimensional Cu（Ⅰ） polymer,[Cu（4,4′-bipy）Cl]n（1）,was synthesized from 4,4′-bipyridine（4,4′-bipy） and copper（Ⅱ） chloride dihydrate by solvothermal method.The structure was characterized by IR,elemental analysis and X-ray single crystal diffraction analysis.1 belongs to tetragonal system,space group of I41/acd with a=1.418 25（8） nm,b=1.418 25（8） nm,c=3.855 60（4） nm,V=7.755 2（10） nm3,Z=32,Mr=255.18 g·mol-1,Dc=1.748 g·cm-3,μ=2.48 mm-1,F（000）=4 096,R1=0.030 6,wR2=0.085 5,S=1.04.The Cu＋ is coordinated by two N atoms from two different 4,4′-bipy and two terminal Cl-atoms formed a distorted tetrahedron coordinating geometry.The molecules are constructed a 2-D network through bridging 4,4′-bipy which further formed 3-D network through inter-interlude 4.82 topology network.The Cu┈Cu distance is 0.274 7（1） nm.