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合成了新配合物[Cu(phen)2Cl].ClO4.H2O(phen=o-phenanthroline),并用IR和X射线单晶衍射法对其结构进行了表征.晶体结构解析表明,标题配合物属单斜晶系,空间群为P2(1)/n,晶胞参数a=1.18086(8)nm,b=1.52855(10)nm,c=1.29572(9)nm,α=90°,β=93.1770(10)°,γ=90.000°,V=2.3352(3)nm3,Z=4,Dc=1.641Mg/m3,Mr=576.86,μ=1.210mm-1,F(000)=1172,偏差因子R1=0.0481,wR2=0.1424.在配合物[Cu(phen)2Cl]·ClO4.H2O中,Cu(Ⅱ)离子处于四个N原子和一个Cl-离子构成的三角双锥几何构型中.分子间利用氢键作用,π-π堆积作用形成二维层状结构.层与层间通过弱氢键作用形成三维空间结构.
The new complex [Cu (phen) 2Cl] .ClO4.H2O (phen = o-phenanthroline) was synthesized and its structure was characterized by IR and X-ray single crystal diffraction.The crystal structure analysis showed that the title complex was a single A = 1.18086 (8) nm, b = 1.52855 (10) nm, c = 1.29572 (9) nm, α = 90 °, β = 93.1770 M = 1.210 mm-1, F (000) = 1172, deviation factor R1 = 1072 °, γ = 90.000 °, V = 2.3352 nm3, Z = 4, Dc = 1.641 Mg / m3, Mr = 576.86, 0.0481, wR2 = 0.1424. In the complex [Cu (phen) 2Cl] · ClO4.H2O, the Cu (Ⅱ) ions are in a triangular double cone geometry consisting of four N atoms and one Cl- Hydrogen bonding and π-π stacking to form two-dimensional layered structure.The three-dimensional structure is formed by weak hydrogen bonding between layers.