摘要
以季铵盐羧酸配体HCbpBr(Cbp=N-(4-羧苄基)吡啶盐)与CuCl2·2H2O反应,合成了化合物[CuCl2(H2O)2][(Cbp)2]·H2O(1),通过元素分析、红外光谱以及X射线单晶衍射对其结构进行了表征,单晶结构解析表明:化合物1为单斜晶系,P2(1)/c空间群,a=9.2537(19),b=14.750(3),c=22.046(4),V=3009.0(10)3,Z=4,μ=0.946mm-1,Dc=1.357Mg/m3,T=291(2)K,分子式:C26H28Cl2CuN2O7,Mr=614.95,F(000)=1268,S=1.046,R=0.0854,wR=0.1369在化合物1的晶体结构中,Cu2+与两个Cl-离子和两个H2O分子进行配位,形成四面体配位构型,羧酸配体以内盐的形式游离存在,配位的H2O分子与客体H2O分子及羧酸上的O形成分子间和分子内经典O-H···O氢键.
Treatment of HCbpBr （Cbp=N-（4-carboxybenzyl）pyridinium） with CuCl2·2H2O afforded mononuclear complex [CuCl2 （H2O）2] [（Cbp）2]·H2O（1）. Compound 1 was characterized by elemental analysis, IR spectra and X-ray crystal structure analysis. Compounds 1 crystallizes in the monoclinic space group P2（1）/c, a=9.2537（19）, b=14.750（3）, c=22.046（4） , V=3009.0（10） 3 , Z=4, μ=0.946mm-1 , Dc =1.357Mg/m 3 , T=291（2） K, C26H28Cl2 CuN2O7 , Mr =614.95, F（000） =1268, S=1.046, R=0.0854, wR=0.1369. In the compound 1, the Cu atom is coordinated by two Cl atoms and two O atoms from two H2O molecules, thereby forming a distorted tetrahedron coordination geometry. The carboxyl acid ligand exhibits as its zwitterionic form. The coordinated H2O molecules have hydrogen bonding interactions with the guest H2O molecules and the O atoms from the acids.
出处
《常熟理工学院学报》
2011年第10期6-10,共5页
Journal of Changshu Institute of Technology
基金
江苏省教育厅自然科学基金(No.08KJB150001)
国家自然科学基金(No.20971017)资助项目
关键词
两性羧酸
铜配合物
晶体结构
Copper（Ⅱ） complex
zwitterionic carboxylates
crystal structure
