以5-甲基-3-吡唑甲酸为配体构建的具有六方孔道的钴(Ⅱ)、镍(Ⅱ)超分子化合物:合成、晶体结构和性质(英文)

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利用5-甲基-3-吡唑甲酸,分别与CoCl2·6H2O和Ni(NO3)2·6H2O反应,得到了配合物[M(MPA)2(H2O)2](1:M=Co;2:M=Ni)(HMPA=5-甲基-3-吡唑甲酸)。用元素分析、红外光谱、X-单晶衍射结构分析对其进行了表征。配合物1和2的晶体结构参数如下:配合物1和2的晶体都属于六方晶系,空间群为R3c。配合物1的晶胞参数为a=1.483 94(4)nm,b=1.483 94(4)nm,c=3.207 66(6)nm,V=6.117 2(3)nm3,Z=18;配合物2的晶胞参数为a=1.466 53(14)nm,b=1.466 53(14)nm,c=3.243 0(6)nm,V=6.04 03(14)nm3,Z=18。金属离子与来自2个5-甲基-3-吡唑甲酸配体中的2个氮原子及2个氧原子,2个水分子中的2个氧原子配位,形成八面体配位构型。配合物中的独立结构单元[M(MPA)2(H2O)2]通过分子间氢键形成具有六方孔道的三维结构。热重分析表明配合物1和2具有较高的热稳定性。此外,考察了配合物1和2的荧光和电化学性质。CCDC:900677,1;900678,2。 The complex [M (MPA) 2 (H2O) 2] (1: M = Co; 2) was obtained by the reaction of 5-methyl-3-pyrazolecarboxylic acid with CoCl2 · 6H2O and Ni (NO3) : M = Ni) (HMPA = 5-methyl-3-pyrazolecarboxylic acid). It was characterized by elemental analysis, IR and X-ray diffraction. The crystal structure parameters of complexes 1 and 2 are as follows: All the complexes 1 and 2 belong to the hexagonal system and the space group is R3c. The lattice parameters of complex 1 were 1.483 94 (4) nm, b = 1.483 94 (4) nm, c = 3.207 66 (6) nm, V = 6.117 2 (3) nm3 and Z = 18. The lattice parameters of 2 are a = 1.466 53 (14) nm, b = 1.466 53 (14) nm, c = 3.243 0 (6) nm, V = 6.04 03 (14) nm3 and Z = 18. The metal ions are coordinated with two nitrogen atoms and two oxygen atoms from two 5-methyl-3-pyrazolecarboxylic acid ligands and two oxygen atoms in two water molecules to form an octahedral coordination configuration . The independent structural unit [M (MPA) 2 (H2O) 2] in the complex forms a three-dimensional structure with hexagonal channels through intermolecular hydrogen bonding. Thermogravimetric analysis showed that complexes 1 and 2 have higher thermal stability. In addition, the fluorescence and electrochemical properties of complexes 1 and 2 were investigated. CCDC: 900677,1; 900678,2.
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