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将NaHCO3与三硝基间苯三酚分散于蒸馏水中,加热搅拌制备出3,5二羟基2,4,6三硝基苯酚钠溶液,再与硝酸钡水溶液反应合成了3,5二羟基2,4,6三硝基苯酚钡盐。在乙醇的水溶液中培养得到了配合物([Ba2(H2TNP)2(OH)2(H2O)2]·(CH3CH2OH)·2.5H2O(H2TNP:3,5二羟基2,4,6三硝基苯酚盐),其化学式为C14H21Ba2N6O25.5。对其进行了元素分析和红外表征,利用单晶分析测定了晶体结构,晶体属于四角形晶系,空间群为I4(1)/amd,晶体学数据为:a=19.911(3)nm,b=19.911(3)nm,c=13.265(3)nm,V=5259.0(15)nm3,Z=8,对1092个衍射点R=0.0335。分子结构由二个氧桥联钡的二聚体单元组成。每个Ba原子是10配位,配位的氧原子分别为:8个来自4分子H2TNP,一个来自一分子H2O,一个来自氢氧根离子。金属原子由氧桥连成网状结构,非配位的水分子和乙醇分子位于晶体的空穴中。用DSC,TGDTG和IR技术研究了标题物的热分解机理,在550℃,分解残渣主要为BaCO3。
NaHCO3 and trinitrophonylated phloroglucinol were dispersed in distilled water, and 3,5-dihydroxy 2,4,6-trinitrophenol sodium solution was prepared by heating and stirring, and then 3,5-dihydroxy 2 , 4,6 trinitrophenol barium salt. The complex ([Ba2 (H2TNP) 2 (OH) 2 (H2O) 2] · (CH3CH2OH) · 2.5H2O (H2TNP: 3,5 dihydroxy 2,4,6-trinitrophenol Salt), its chemical formula C14H21Ba2N6O25.5. The elemental analysis and infrared characterization, the crystal structure was determined by single crystal analysis, the crystal belongs to the tetragonal crystal system, space group I4 (1) / amd, the crystallographic data are: a = 19.911 (3) nm, b = 19.911 (3) nm, c = 13.265 (3) nm, V = 5259.0 (15) nm3, Z = 8 and R = 0.0335 for 1092 diffraction spots. The molecular structure consists of two Oxygen bridge barium barium dimer unit. Each Ba atom is 10 coordination, coordination oxygen atoms are: 8 from 4 molecules H2TNP, one from a molecule H2O, one from hydroxide ions. Metal atoms The oxygen bridged into a network structure, the non-coordination of water molecules and ethanol molecules located in the hole in the crystal.With DSC, TGDTG and IR technology to study the thermal decomposition mechanism of the title material, at 550 ℃, the decomposition of the residue mainly BaCO3 .