化学学报 ›› 2002, Vol. 60 ›› Issue (2): 367-371. 上一篇    下一篇

研究论文

三元配合物[Cu(L-tyr)(TATP)(H2O)]ClO4.H2O的合成、晶体 结构及芳环堆积作 用

乐学义;童明良;付银莲;计亮年   

  1. 华南农业大学理学院应用化学系.广州;中山大学化学系.广州(510275)
  • 发布日期:2002-02-15

Synthesis, crystal structure and aromatic-ring stacking interaction of ternary complex [Cu(L-tyr)(TATP)(H2O)]ClO4.H2O

Le Xueyi;Tong Mingliang;Fu Yinlian;Ji Liangnian   

  1. S China Agricultural Univ, Coll of sci, Dept of appl chem.Guangzhou( );Zhongshan Univ., Dept Chem.Guangzhou(510275)
  • Published:2002-02-15

合成了新的三元配合物[Cu(L-tyr)(TATP)(H2O)]ClO4.H2O(L-tyr=L-酪氨酸,TATP=1,4,8,9-四氮三联苯),并用红外光谱和电子顺磁共振谱进行了表征,用X射线单晶衍射测定了配合物结构,晶体属单斜晶系,空间群P21,晶胞参数:a=0.7862(2)nm,b=1.0510(5)nm,c=1.4768(3)nm,β=97.74(3)°,Z=2,V=1.2092(5)nm^3,R1=0.0341,wR2=0.0919。中心Cu(Ⅱ)离子具有变形四方锥配位结构,与TATP中两个氮原子、L-tyr的氨基氮和羧基氧原子及一个水分子配位。晶体中芳环堆积及氢键作用类似于稳定DNA双螺旋结构的碱基之间的作用,具有分子识别的特点。

关键词: 三元络合物, 氮杂环化合物, 三联苯P, 酪氨酸, 铜络合物, 合成, 芳香烃, 堆积效应, 晶体结构

Ternary complex [Cu(L-tyr)(TATP)(H2O)]ClO4.H2O was synthesized and characterized by elemnetal analysis, spectroscopic and X-ray diffraction methods, where L-tyr=L-tyrosine, and TATP=1, 4, 8, 9- tetraazatriphenylene. The complex crystallizes in monoclinic space group P21, with two molecules in a unit cell of dimensions a=0.7862(2) nm, b=1.0510(5) nm, c=1.4768(3) nm, β=97.74(3)°,Z=2, V=1.2092(5) nm^3,R1=0.0341, wR2=0.0919. The central Cu(Ⅱ) ion has a distorted square-pyramidal geometry with two nitrogen atoms of TATP and the amino nitrogen and carboxylate oxygen atoms of L-tyr at the equatorial positions and one water oxygen atom at the axial position. The crystal structure shows that there are intermolecular and intramolecular aromatic-ring stacking and hydrogen bonding between the TATP-ring and the phenyl-ring of L-tyr which is similar to the base-base interactions which stabilize the double helical structure of DNA.

Key words: TERNARY COMPLEX, NITROGEN HETEROCYCLICS, TRIPHENYL P, TYROSINE, COPPER COMPLEX, SYNTHESIS, AROMATIC HYDROCARBON, PACKING EFFECT, CRYSTAL STRUCTURE

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