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

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。

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

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.