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制备得到了新配合物[Mn(SCZ)3](PA)2u001fH2O,用元素分析和FT-IR对其结构进行了表征。用X-射线单晶衍射对其结构进行了测定,采用MoKa射线、l=0.071073nm,收集到5054个独立衍射点,其中的3812个可观测衍射点用于结构计算和修正。晶体属三斜晶系,P空间群,化学式C15H21N15O18Mn,Mr=754.41。晶体学参数a=0.7991(2),b=1.2968(3),c=1.4791(2)nm,a=72.78(1),b=84.36(1),g=81.80(2),V=1.4466(5)nm3,Z=2,Dc=1.732g/cm3,F(000)=770,S=1.07,m(MoKa)=0.565mm-1。最终偏离因子R=0.0634,wR=0.1292。中心Mn2+为六配位畸变八面体构型,它同时与3个SCZ分子配位,形成3个稳定的平面畸变五员环。苦味酸根阴离子通过静电引力和氢键与配位阳离子结合。分子间通过大量氢键在整个空间构成无限延伸的三维网状结构。[Mn(SCZ)3](PA)2u001fH2O的热分解有2次剧烈的放热质量损失过程,热分解最终产物为MnO。
The new complex [Mn (SCZ) 3] (PA) 2 u001fH2O was prepared and its structure was characterized by elemental analysis and FT-IR. Its structure was determined by X-ray single crystal diffraction. With MoKa ray, l = 0.071073nm, 5054 independent diffraction points were collected, of which 3812 were observable diffraction points for structural calculation and correction. The crystal is triclinic, P space group, chemical formula C15H21N15O18Mn, Mr = 754.41. Crystallographic parameters a = 0.7991 (2), b = 1.2968 (3), c = 1.4791 (2) nm, a = 72.78 (1), b = 84.36 (1), g = 81.80 (2), V = 1.4466 5) nm3, Z = 2, Dc = 1.732 g / cm3, F (000) = 770, S = 1.07, m (MoKa) = 0.565 mm-1. The final deviation factor R = 0.0634, wR = 0.1292. The central Mn2 + is a six-coordinated distorted octahedral configuration that coordinates with three SCZ molecules at the same time to form three stable planar distortion five-member rings. Picrate anions associate with the coordination cation through electrostatic attraction and hydrogen bonding. Through a large number of hydrogen bonds between molecules in the entire space constitutes an infinite extension of the three-dimensional network structure. Thermal decomposition of [Mn (SCZ) 3] (PA) 2 u001fH2O has two severe exothermic mass loss processes, and the final product of thermal decomposition is MnO.