【作者】 陈东； 周小清； 李洪珍； 张祺；

【Author】 Dong Chen;Xiaoqing Zhou;Hongzhen Li;Qi Zhang;Institute of Chemical Materials,China Academy of Engineering Physics;

【机构】 中物院化工材料研究所；

【摘要】 本文通过扩散法以5,5-偶氮四唑(AZT)、乙二胺和硝酸镍为原料,合成了一例多氮配合[Ni(ethylenediamine)3]AZT·THF。通过X-射线单晶衍射分析,该结构为三斜晶系空间群P-1,Ni2+离子与来自三个乙二胺离子的六个N形成了相对歪斜的八面体结构的配位键;乙二胺在其中作为二齿配体与中心金属Ni2+配合形成了三个互成90°的扭曲五元环结构;晶体中的偶氮四唑以反式结构存在,并分别从晶轴a,c两个方向以四唑环面对面的平行堆叠方式构建晶体。晶体中的氢键作用和弱π-π堆叠作用一起实现了稳定的三维超分子结构。更多还原

【Abstract】 A new nitrogen-rich compound of [Ni(ethylenediamine)3]AZT·THF(AZT=5,5-azotetrazolate) was synthesized byliquid phase diffusion method using AZT and ethanediamine as ligands and its structure has been characterized by X-ray single crystal diffraction. The compound crystallized in the triclinic space group P-1, the central nickle(Ⅱ) cation was coordinated by six N atoms from three en ligands to form a six-coordinated and distorted octahedral structure. The en ligands acts as bidentated ligands forming with the central metal ion into three disordered, five-member chelate rings, the dihedral angles between the rings are 90°, leading to the least steric hindrance and the stable structure. Moreover, the free trans-AZT2- anions also show face-to-face anion-anion staking interaction along the crystallographic a and c-axis. The weak π--π- stacking, hydrogen bonding and electrostatic interaction are responsible for the stabilization of 3D supramolecular structure.更多还原