均苯三甲酸铜配合物的合成和晶体结构

Synthesis and Crystal Structure of Cu(Ⅱ) Complex Constructed from 1,3,5-Benzenetricarboxylic Acid

利用硝酸铜[Cu(NO3)2·6H2O]和均苯三甲酸在氨水溶液中反应,通过氨对铜(Ⅱ)离子的配合来调控配位反应速率,合成配合物{[Cu3(btc)2(NH3)6(H2O)]·2H2O}n,并经元素分析和X射线单晶衍射法证实。配合物属单斜晶系,空间群为C2/c,晶体学参数:a=13.9213(5),b=17.1210(6),c=12.5271(5),V=2710.9(2)3,Z=4。在标题化合物的结构中,Cu1离子为四配位而Cu2离子是五配位的,Cu1和Cu2被均苯三甲酸根离子桥联,由于均苯三甲酸根离子的结构中有c3对称轴而形成了二维六员环状平面结构,平面间通过N-H…O,O-H…O等氢键和π-π作用形成层状堆积。

The complex {[Cu3（blc）2（NH3）（H2O）]·2H2O}n,（btc =1,3,5-bonzene-tricarboxylate） was synthesized by reaction of 1,3,5- benzenetricarboxylic acid with Cu （NO3）2·6H2O in aqueous ammonia. The reaction velocity of the assembly was controlled by the diffusion of the ammonia. The crystal structure was confirmed by elemental analysis and X-ray single crystal diffraction. The title complex belongs to monoclinic system with space group C2/c, cell parameters： a=13.9213（5）,b=17.1210（6）,c=12.5271（5）A,V=2710.9（2）A3,Z=4. R1= 0.0226 and wR2= 0.0619.X-ray single crystal diffraction study reveals that there are two crystallographic independent Cu~ ions in the complex. Cul is square planar coordinated while Cu2 is square pyramidal coordinated. Cu＂-~ ions are connected by fully deprotonated btc to form 2D undulating sheet of honeycomb motif. The geometries of btc and ammonia match perfectly because both of them possess C3 symmetry, covalent bonds, coordination bonds, hydrogen bonds and ,π-π interactions collaborate perfectly in the crystal structure of the title complex.