论文部分内容阅读
常温下,溶液法合成了一个单核结构的锌配合物Zn(phen)(H2O)(3-mba)2(phen:邻菲咯啉;3-Hmba:3-甲基苯甲酸),并用红外光谱、元素分析、热重分析以及X射线单晶衍射表征了其结构。结果表明,配合物属于三斜晶系,空间群P 1,晶胞参数:a=10.893(2)A,b=11.461(2)A,c=11.505(2)A,α=95.54(3)°,β=115.80(3)°,γ=100.25(3)°,V=1247.9(4)A3,C28H24N2O5Zn,Mr=533.86,Z=2,Dc=1.421 g·cm-3,F(000)=552,最终偏离因子[I≥2σ(I)]R1=0.0471,wR2=0.0954。在配位物分子中,中心锌离子是五配位模式,双分子间先通过O—H…O氢键形成二聚体,继而二聚体间通过相邻分子中的邻菲咯啉芳环的π-π堆积作用沿着a方向形成了一维超分子链。对配合物的荧光性能进行了测试。CCDC 1023439。
At room temperature, a Zn (phen) (H2O) (3-mba) 2 (phen: phenanthroline; 3-Hmba: 3-methylbenzoic acid) Its structure was characterized by spectroscopy, elemental analysis, thermogravimetric analysis and X-ray single crystal diffraction. The results show that the complex belongs to the triclinic system with space group P 1. The unit cell parameters are as follows: a = 10.893 (2) A, b = 11.461 (2) A, c = 11.505 (2) A, (3), V = 1247.9 (4) A3, C28H24N2O5Zn, Mr = 533.86, Z = 2, Dc = 1.421 g · cm-3, F 552, final deviation factor [I ≥ 2σ (I)] R1 = 0.0471, wR2 = 0.0954. In the ligand molecules, the central zinc ion is a five-coordinate mode, the two molecules through the O-H ... O hydrogen bonds to form dimers, and dimers through adjacent molecules of phenanthroline aromatic ring The π-π stacking effect forms a one-dimensional supramolecular chain along a direction. The fluorescence properties of the complexes were tested. CCDC 1023439.