论文部分内容阅读
本文论述了苦味酸(PA,三硝基苯酚)锰与碳酰肼(CHZ,NH2NHCONHNH2)反应制备目标配合物的方法及该配合物的晶体结构。该配合物的结构式为[O,O′-μ-Mn2(CHZ)4(H2O2)](PA)4·10H2O。晶体属三斜晶系,P1-空间群。晶体学参数为:a=0.8269(1)nm,b=1.2812(1)nm,c=1.5915(1)nm;α=109.58(1)°,β=95.19(1)°,γ=92.76(1)°,V=1.5765(2)nm3;Z=1,Dc=1.580g·cm-3,μ(MoKα)=520m-1。晶体结构经全矩阵最小二乘法修正,最终偏离因子R=0.0557。该化合物为具有中心对称的双核配合物,以两个碳酰肼分子中羰基氧为桥原子将两个锰离子结合起来,与锰离子形成配位键的原子是碳酰肼分子第一、五氮原子,羰基氧原子和水分子中的氧原子,锰离子的配位数为七。若味酸根作为外界离子以库伦力和氢键与内界离子结合成配合物分子。
This paper deals with the preparation of the target complex by the reaction of picric acid (PA, trinitrophenol) manganese with carbohydrazide (CHZ, NH2NHCONHNH2) and the crystal structure of the complex. The structure of the complex is [O, O’-μ-Mn2 (CHZ) 4 (H2O2)] (PA) 4 · 10H2O. Crystal is triclinic, P1-space group. The crystallographic parameters are as follows: a = 0.8269 (1) nm, b = 1.2812 (1) nm, c = 1.5915 (1) °, γ = 92.76 (1) °, V = 1.5765 (2) nm3; Z = 1; Dc = 1.580g · cm-3; and μ (MoKα) = 520m-1. The crystal structure was corrected by full matrix least square method, and the final deviation factor was R = 0.0557. The compound is a binuclear complex with a central symmetry. Carbonyl oxygen in the two carbon hydrazide molecules serves as a bridge atom to combine the two manganese ions. The atom forming the coordinate bond with the manganese ion is the first and the fifth carbon hydrazide molecules. Nitrogen atoms, carbonyl oxygen atoms and water molecules oxygen atoms, manganese ions coordination number of seven. If the role of acid ions as external ions to Coulomb force and hydrogen bonds with the internal boundary ions into complex molecules.