丁二酸桥联双核铜Cu(C_3N_2H_4)_2(C_4H_5O_4)_2晶体的超分子结构及形貌特征

用XRD,SEM和TEM研究新型配合物Cu(C3N2H4)2(C4H5O4)2的超分子结构和微观形貌,并对新型晶体的平衡外形进行模拟计算,结果表明:该配合物分子具有丁二酸桥联的双核铜结构,中心铜离子处在2个咪唑和4个丁二酸以单齿配位组成的八面体中心,在ab平面,分子中有十四元大环,环内Cu(1)-Cu(2)原子间距为0.8031nm,C(2)-C(2′)为0.4183nm;在ac平面,沿着010]方向分子内呈现凹的六边形纳米级孔洞;沿100]方向分子依靠弱的氢键作用,层状堆积成三维超分子结构。此外,随着丁二酸的碳链沿001]方向无限延伸,形成以铜离子为交叉中心的带状拓扑构型。SEM观察到晶体表面形成有明显的凹坑,区域呈现层状阶梯,说明晶体在(100)面遵照台阶-扭折模型呈层状生长结晶。TEM微区形貌像显示晶体存在条纹和缺陷结构,整体保持柱状构型,这与模拟的晶体平衡外形呈柱状一致。模拟结果表明晶体最易外显晶面为(100)面,外显比例达41.247%,这与晶体超分子层沿100]方向通过氢键作用堆积,键作用力较弱密切相关。

THE MORPHOLOGICAL CHARACTERISTICS AND SUPER-MOLECULAR STRUCTURE OF DUAL-CORE SUCCINIC BRIDGED COPPER COMPLEX: (C3N2H4)2(C4H5O4)2

The crystal structure and morphology of Cu(C3N2H4)2(C4H5O4)2 were studied by single crystal diffraction,scanning electron microscopy(SEM),and transmission electron microscopy(TEM)respectively,and the equilibrium morphology of this crystal was simulated.It was indicated that the copper ion was in the centre of the octahedron single-tooth coordinated by two imidazole and four succinic ligand.Fourteen rings containing 14 atoms existed in the molecules of the ab plane,in which the maximum distance between Cu(1)...