三元配合物[Cu(L-tyr)(TATP)(H_2O)]ClO_4·H_2O的合成、晶体结构及芳环堆积作用

Synthesis, Crystal Structure and Aromatic-ring Stacking Interaction of Ternary Complex [Cu(L-tyr)(TATP)(H_2O)]ClO_4·H_2O

合成了新的三元配合物 [Cu(L tyr) (TATP) (H2 O) ]ClO4 ·H2 O (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P2 1,晶胞参数 :a =0 .786 2 (2 )nm ,b=1.0 5 10 (5 )nm ,c=1.476 8(3)nm ,β =97.74(3)° ,Z =2 ,V =1.2 0 92 (5 )nm3 ,R1=0 .0 34 1,wR2 =0 .0 919.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 .

Ternary complex [Cu(L-tyr)(TATP)(H 2O)]ClO 4·H 2O was synthesized and characterized by elemental 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 P2 1, 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, R 1=0.0341, wR 2=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.