基于Cr3O(OOCC2H5)6(H2O)3+和α-Keggin多金属氧簇的微孔化合物的合成和晶体结构

摘要

A novel microporous compound,K2 [Cr3O(OOCC2H5)6(H2O)3]2 [SiMo12O40] · 1.5HAc ·6H2 O,was synthesized by the complexation of Keggin-type [α-SiMo12O40]4-polyoxomolybdateion with macrocation [Cr3O(OOCC2H5)6(H2O)3]+.The crystal structure and chemical structure of as-synthesized compound were analyzed by single crystal X-ray diffraction,X-ray photoelectron spectroscopy,infrared spectrometry and ultraviolet spectrometry.Results show that as-synthesized compound belongs to triclinic system of space group P-1(2),with crystal cell parameters of a =1.299 64(5) nm,b =1.299 64(5) nm,c =2.090 26(8)nm,α =76.406 0(10)°,β =74.126 0(10)°,γ =79.658 0(10)°,and Z =2.In terms of the molecular structure,the macrocation and polyoxomolybdate are connected with each other through two K+ cations forming a one dimensional chain,and the neighboring chains are further interconnected into a two dimensional layer by hydrogen bonding interactions.%以H4 SiMo12O40.nH2O和[Cr3O(OOCC2 H5)6(H2O)3]NO3· nH2O等为原料,合成了一例新颖的微孔化合物K2[Cr3O(OOCC2H5)6(H2O)3]2[SiMo12O40].1.5HAc ·6H2O；利用X射线衍射仪、X射线光电子能谱仪、红外光谱仪及紫外光谱仪分析了产物的晶体结构和分子结构.结果表明,合成的化合物属于三斜晶系,P-1(2)空间群,晶胞参数为a=1.299 64(5) nm,b=1.299 64(5) nm,c=2.090 26(8) nm,α=76.406 0(10)°,β=74.126 0(10)°,γ=79.6580(10)°,Z=2.就其分子结构而言,阴、阳离子通过K+离子的桥联作用形成一维链状结构,而相邻链之间通过氢键形成二维层状结构.