三维网状结构配合物[Cd(HBTC)(H_2O)_2]_n的合成及晶体结构

Synthesis and Crystal Structure of a 3-D Network Complex[Cd(HBTC)(H_2O)_2]_n

利用常温下溶剂挥发的方法制备了组成为[Cd(HBTC)(H2O)2]n的配合物(H3BTC=1,3,5-均苯三甲酸),并用元素分析、红外光谱、X射线单晶衍射等对其进行了表征.结果表明,该配合物属于单斜晶系,C2/c空间群,a=1.9711(4)nm,b=0.90994(18)nm,c=1.3343(3)nm,α=90°,β=117.90(3)°,γ=90°,V=2.1150(7)nm3,Z=8,R1=0.0229,wR2=0.0556.标题配合物首先由中心金属离子Cd(Ⅱ)与1,3,5-均苯三甲酸以及水构成二维层状结构,其中1,3,5-均苯三甲酸的两个脱质子的羧基分别以螯合配位的模式与Cd(Ⅱ)配位,另一个没有脱质子的羧基则以单齿配位的模式与Cd(Ⅱ)配位,Cd(Ⅱ)处于一个变形的五角双锥的配位环境中.固态下层与层之间又通过氢键连接成三维结构.

Complex [Cd（HBTC）（H2O）2]n has been synthesized by volatilization of solvent at room temperature,and characterized by elemental analysis,IR and single crystal X ray diffraction analysis. The title compound crystallizes in the monoclinic system,space group C2/c,a=1.971 1（4） nm,b=0.909 94（18） nm,c=1.334 3（3） nm,α=90°,β=117.90（3）°,γ=90°,V=2.115 0（7） nm3,Z=8,R1=0.022 9,wR2=0.055 6. The title complex is constructed by Cd（Ⅱ） ion,1,3,5-benzenetricarboxylate （H3BTC） and water molecules leading to a 2D layered structure. In the complex,two deprotonated carboxylate groups coordinates to Cd（Ⅱ） ion as bidentate chelate mode,and the third one,which is not deprotonated,coordinates to the central Cd（Ⅱ） ion as unidentate mode. The local environment around the central Cd（Ⅱ） ion can be best described as a distorted penta-bipyramidal geometry. Furthermore,the adjacent layers are connected by hydrogen bonds resulting in a 3D network structure in the solid state.