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含两性羧酸配体的Cu(Ⅱ)配合物[CuCl2(H2O)2][(Cbp)2]·H2O的合成与晶体结构
引用本文:袁荣鑫.含两性羧酸配体的Cu(Ⅱ)配合物[CuCl2(H2O)2][(Cbp)2]·H2O的合成与晶体结构[J].常熟理工学院学报,2011,25(10):6-10.
作者姓名:袁荣鑫
作者单位:[1]常熟理工学院化学与材料工程学院,江苏常熟215500;[2]常熟理工学院江苏省新型功能材料重点建设实验室,江苏常熟215500
基金项目:江苏省教育厅自然科学基金,国家自然科学基金
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.

关 键 词:两性羧酸  铜配合物  晶体结构

Synthesis and Crystal Structure of a Copper(Ⅱ) Zwitterionic Carboxylates Complex [CuCl_2(H_2O)_2][(Cbp)_2]·H_2O
YUAN Rong-xin.Synthesis and Crystal Structure of a Copper(Ⅱ) Zwitterionic Carboxylates Complex [CuCl_2(H_2O)_2][(Cbp)_2]·H_2O[J].Journal of Changshu Institute of Technology,2011,25(10):6-10.
Authors:YUAN Rong-xin
Institution:YUAN Rong-xin a,b (a.School of Chemistry and Material Engineering; b.Jiangsu Key Laboratory of Advanced Functional Materials, Changshu Institute of Technology, Changshu 215500, China)
Abstract: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.
Keywords:Copper(Ⅱ) complex  zwitterionic carboxylates  crystal structure
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