期刊论文

Chen, Z.-M.

中文

湖南师范大学自然科学学报

2096-5281

2005

28

4

54-58

10.3969/j.issn.1000-2537.2005.04.013

基础研究资助项目（03JZY3036）； 湖南省科技厅计划项目（04FJ3026）； 湖南省教育厅资助项目；

本校为第一机构

由Phen(Phen=1,10-phenanthroline)与铜(Ⅱ)离子反应,合成了标题配合物[Cu(Phen)2NO3](OH)·6H2O.单晶X射线衍射分析表明,晶体属单斜晶系,空间群为:P2(1)/c,晶胞参数:a=0.994 2(4)nm,b=2.635 8(9)nm,c=1.055 1(4)nm,β=106.045(6)°,V=2.657 2 nm3,Z=4,Dx=1.527 g.cm-3,μ(Moka)=8.88 cm-1,F(000)=1 268,R1=0.044 1,wR2=0.111 0[I＞2σ(I)].配合物中Cu-O、Cu-N键键长分别为0.201 4～0.233 2 nm和0.203 5～0.221 8 nm,中心铜原子与六个配位原子形成变形八面体结构.晶体中结构单元通过分子间氢键和π-π堆积,形成了三维网络结构.对标题配合物进行了量化计算,得原子轨道贡献信息.

The complex [Cu(Phen)2NO3](OH) &middot 6H 2O has been synthesized by copper(II) and Phen, where Phen = 1, 10-phenanthroline. The crystal structure of the complex has been determined by X-ray diffraction. The crystal belong to monoclinic system, space group P2(1)/c. The cell parameters are: a = 0.994 2(4) nm, b - 2.635 8(9) nm, c = 1.055 1(4) nm, β= 106.045(6), V = 2.657 2 nm3, Z = 4, Dx - 1.527 g.cm -3, μ(Moka) = 8.88 cm-1, F(000) = 126 8, R 1, = 0.044 1, wR2 = 0.111 0. The bond distance of Cu-O, Cu-N are 0.201 4 ∼0.2332 nm and 0.203 5 ∼0.221 8 nm, respectively. The copper-cent...