多氮唑衍生配体构筑的锌配合物的设计合成与性质论文设计

摘要本文选用的有机配体为 5-偶氮四唑水杨酸(H3ASA)，以水杨酸和 5-氨基四氮唑为原料，在低温条件下重氮偶合得到 H3ASA，以过渡金属锌（Ⅱ）为中心离子，乙二胺为第二配体，合成金属配合物偶氮四唑水杨酸合锌 ([Zn(H2ASA)2(H2O)2]n)。合成方法采用了溶液挥发法，探究出培养晶体的实验条件后，进行了大量的对照实验优化晶体培养条件。用 X-射线单晶衍射手段对最优条件下培养出的晶体解析其单晶结构，通过 结构精修解析，发现合成的配合物[Zn(H2ASA)2(H2O)2]n为一维（1D）结构，属于三斜晶系，Pī 空间群每一个不对称的晶胞单元都是由一个二价锌离子、两个脱去羧基活泼氢的一价 H2ASA–配体及两个参与配位的水分子构成。其中，与Zn(II)离子配位的两个四唑氮原子和两个羧基氧原子由四个 H2ASA–配体提供。相邻一维链通过 ON、OO 氢键和 π-π 堆积相互作用形成三维超分子结构。同时，通用 X-射线粉末衍射（XRPD）和傅里叶红外仪（FT-IR）对配合物[Zn(H2ASA)2(H2O)2]n的结构进行进一步的表征。关键词：配合化合物；偶氮四唑水杨酸； Zn2+离子；晶体结构1AbstractIn this article, 5-azotetrazole salicylic acid (H3ASA) was chosen as the organic ligand which was prepared through diazotization and coupling reaction between 5-aminotetrazole and salicylic acid. The transition metal Zn( ) is used as the center ion. A new Zn( ) complexⅡⅡ based on 5-azotetrazole salicylic acid is synthesized by solution method through continuous exploration and optimization of experimental conditions. A large amount of suitable crystals are cultivated. The crystal structure of obtained complex is analyzed by X-ray single crystal diffraction. The results show that the complex [Zn(H2ASA)2(H2O)2]n is a one-dimensional structure and belongs to triclinic system, Pi space group, each asymmetric structure cell contains one Zn2+ ion, two coordinated water molecules and two partially deprotonated monovalent H2ASA– ligands. Each Zn2+ coordinated with two tetrazole nitrogen atoms and two 2oxygen atoms offered by carboxyl fro...