| 钟凡,蔡金华.三核铜配合物[Cu3(TBSSB)2(BSA)2(bipy)2]·H2O的合成、晶体结构及性质研究[J].井冈山大学自然版,2018,(4):21-27 |
| 三核铜配合物[Cu3(TBSSB)2(BSA)2(bipy)2]·H2O的合成、晶体结构及性质研究 |
| SYNTHESIS, CRYSTAL STRUCTURE AND PROPERTIES OF A TRINUCLEAR COPPER(Ⅱ) COMPLEX Cu3(TBSSB)2(BSA)2(bipy)2·H2O |
| 投稿时间：2018-05-19 修订日期：2018-06-22 |
| DOI：10.3969/j.issn.1674-8085.2018.04.005 |
| 中文关键词: 铜配合物 晶体结构 牛磺酸 光致发光 超分子 |
| 英文关键词: copper complex crystal structure taurine photoluminescence supermolecule |
| 基金项目:The National Natural Science Foundation of China (21461013,21561017), the Science and Technology Key Project of Jiangxi Provincial Department of Science & Technology (20133ACB20010,20161BAB206134,GJJ160730) |
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| 中文摘要: |
| 以牛磺酸缩5-溴水杨醛席夫碱（TBSSB）、5-溴水杨醛（BSA）、2，2'-联吡啶（bipy）为混合配体，合成了三核铜配合物[Cu3（TBSSB）2（BSA）2（bipy）2]·H2O （1），并对该化合物进行了元素分析、红外光谱、X-射线单晶衍射、光致发光光谱、固体漫反射光谱及分子轨道分析等表征。晶体结构分析表明，该化合物结晶属三斜晶系，Pī空间群，晶胞参数为a=10.031（2）Å，b=11.480（2）Å，c=12.913（3）Å，α=73.13（3）°，β=78.58（3）°，γ=75.24（3）°，V=1363.6（5）Å3，Z=1，Mr=1533.30，Dc=1.867 g/cm3，F（000）=759，μ=4.236 mm-1，S=0.921，R1=0.0488，wR2=0.0471（I > 2σ（I）），R1=0.1812，wR2=0.0546。Cu （2）离子与来自于两个TBSSB配体的两个氮原子和两个氧原子配位，形成正方形配位构型。Cu （1）离子与来自于一个2，2'-bipy的两个氮原子，TBSSB配体的一个氧原子，以及BSA的两个氧原子配位，形成四方锥形配位构型。该化合物分子通过O-H…Br分子内氢键和C-H…O分子间氢键相互连接形成三维超分子结构。研究发现该化合物能够发出蓝色荧光，它的带隙为2.19 eV。 |
| 英文摘要: |
| A trinuclear copper(Ⅱ) complex Cu3(TBSSB)2(BSA)2(bipy)2·H2O (1) with mixed ligands of taurine-5-bromo-salicylaldehyde Schiff base (TBSSB), 5-bromo-salicylaldehyde (BSA) and 2,2'-bipyridine(bipy), was synthesized and characterized by elemental analysis, infrared spectrum, single crystal X-ray, photoluminescent, solid-state diffuse reflectance spectrum and molecular orbital analysis. The results of X-ray crystallographic analysis indicate that the complex belongs to triclinic and space group Pī with a=10.031(2) Å, b=11.480(2) Å, c=12.913(3) Å, α=73.13(3)°, β=78.58(3)°, γ=75.24(3)°, V=1363.6(5) Å3, Z=1, Mr=1533.30, Dc=1.867 g/cm3, F(000)=759, μ=4.236 mm-1, S=0.921, R1=0.0488, wR2=0.0471(I>2σ(I)), R1=0.1812 and wR2=0.0546. Cu(2) atom adopts a square geometry coordinated by two N and two O atoms from two separated TBSSB ligands, while the other two equal Cu(1) atoms exhibit a square-pyramidal environment formed by two N atoms of bipy, one O of TBSSB and two O of BSA. The intramolecular interactions (O-H…Br) and intermolecular interactions (C-H…O) link the molecules into a complicated three-dimensional (3D) supramolecular structure. Photoluminescent investigation reveals that it displays an emission in the blue region. Optical absorption spectra reveals the presence of an energy band gap of 2.19 eV. |
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