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含咪唑基配体的Co(Ⅱ)超分子配合物的合成、晶体结构和光谱性质

金凤1, 马健1, 马继龙1, 崔玉民1, 吴杰颖2, 田玉鹏2,3
  

  1. 1. 阜阳师范学院化学系, 阜阳 236041;
    2. 安徽大学化学化工学院, 合肥 230039;
    3. 南京大学配位化学国家重点实验室, 南京 210093
  • 收稿日期:2006-01-26 修回日期:1900-01-01 出版日期:2006-09-10 发布日期:2006-09-10
  • 通讯作者: 崔玉民

Synthesis, Crystal Structure and Optical Properties of a Novel Co(Ⅱ) Complex Containing Imidazole Ligand

JIN Feng1, MA Jian1, MA Ji-Long1, CUI Yu-Min1*, WU Jie-Ying2, TIAN Yu-Peng2,3   

  1. 1. Department of Chemistry, Fuyang Normal College, Fuyang 236041, China; 
    2. Department of Chemistry and Chemical Engineering, Anhui University, Hefei 230039, China;
    3. State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, China
  • Received:2006-01-26 Revised:1900-01-01 Online:2006-09-10 Published:2006-09-10
  • Contact: CUI Yu-Min

摘要: 采用改进的固相Wittig反应, 合成了一种新型的具有电子给受体和π共轭结构的咪唑衍生物1-{反式4-[4-(-N,N-二乙基氨基)苯乙烯基]苯}咪唑(C21H23N3, 简作L). 室温下, 将L与Co(SCN)2在甲醇中反应, 合成了配合物Co(SCN)2(C21H23N3)4. X射线单晶衍射分析结果表明, 该晶体属于三斜晶系, P1空间群, 晶胞参数a=0.931 7(3) nm, b=1.275 3(4) nm, c=1.669 1(5) nm, α= 89.521(5)°, β=84.591(5)°, γ=80.052(5)°, V=1.944 6(11) nm3, Z=1, μ=0.329 mm-1, Dc=1.234 Mg/m3, F(000)=765, R1=0.060 1, wR=0.138 1, GOF=1.030, 中心原子Co(Ⅱ)的配位数为6, 分别与来自4个L的咪唑N及2个SCN-的N配位, 形成八面体的空间构型. 配合物分子通过非典型氢键和π-π堆积作用形成三维超分子结构. 研究结果表明, 配合物具有很好的光学性质.

关键词: 咪唑衍生物, 共轭结构, 配位聚合物, 晶体结构, 光学性质

Abstract: A novel imidazole derivative with π-conjugated system, 1-[trans-4-(4-diethylaminostyryl)phenyl] imidazole(L) and its complex, CoL4(SCN)2, were prepared. The structure of the complex was determined by single crystal X-ray diffraction analysis. The crystal is of orthorhombic system, space group P1 with a=0.931 7(3) nm, b=1.275 3(4) nm, c=1.669 1(5) nm, α=89.521(5)°, β=84.591(5)°, γ=80.052(5)°, V=1.944 6(11) nm3, Z=1, μ=0.329 mm-1, Dc=1.234 Mg/m3, F(000)=765, R1=0.060 1, wR=0.138 1, GOF=1.030. In the molecular structure of Co(SCN)2L4, Co atom is six coordinated by four N atoms of the ligands(L) and two N atoms of thiocyanate to form an octahedral geometry. The untypical hydrogen bonds and π-π stacking interaction lead to three-dimensional supramolecular formation. The optical properties were experimentally studied.

Key words: Imidazole derivative, π-Conjugated system, Coordination polymer, Crystal structure, Optical property

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