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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.
The compound [CuCl2 (H2O) 2] [(Cbp) 2] · H2O (1) was synthesized by reacting quaternary ammonium carboxylate ligand HCbpBr with CCl 2 · 2H 2 O (Cbp = N- ), And its structure was characterized by elemental analysis, IR and single crystal X-ray diffraction. The crystal structure of compound 1 was monoclinic, P2 (1) / c space group, a = 9.2537 (19) , b = 14.750 (3), c = 22.046 (4), V = 3009.0 (10) 3, Z = 4, μ = 0.946 mm-1, Dc = 1.357 Mg / m3, T = 291 : C26H28Cl2CuN2O7, Mr = 614.95, F (000) = 1268, S = 1.046, R = 0.0854, wR = 0.1369 In the crystal structure of compound 1, Cu2 + coordinated with two Cl- ions and two H2O molecules to form Tetrahedral coordination configuration, the carboxylic acid ligands exist in the form of internal salt free, coordinated H2O molecules and guest H2O molecules and O on the carboxylic acid to form intermolecular and intramolecular OH · O hydrogen bonds.