菲啶和三苯基膦的Cu(Ⅰ)/Cu(Ⅱ)配合物的合成、表征和X射线晶体结构分析  

Synthesis,Characterization,and X‑ray Crystal Structure Analysis of Cu(Ⅰ)/Cu(Ⅱ)Complexes of Phenanthridine and Triphenylphosphine

作　　者：Hikmat Ali Mohamad Karwan Omer Ali Eric Hosten Thomas Gerber Hikmat Ali Mohamad;Karwan Omer Ali;Eric Hosten;Thomas Gerber(Department of Chemistry,College of Education,University of Salahaddin,Erbil,Iraq;Department of Physics,College of Science,University of Halabja,Halabja,Iraq;Department of Chemistry,Faculty of Science,Nelson Mandela Metropolitan University,Port Elizabeth,South Africa)

机构地区：[1]Department of Chemistry,College of Education,University of Salahaddin,Erbil,Iraq [2]Department of Physics,College of Science,University of Halabja,Halabja,Iraq [3]Department of Chemistry,Faculty of Science,Nelson Mandela Metropolitan University,Port Elizabeth,South Africa

出　　处：《无机化学学报》2021年第6期1106-1112,共7页Chinese Journal of Inorganic Chemistry

摘　　要：以三苯基膦(PPh_(3))为共配体,合成了2种新的铜(Ⅰ)和铜(Ⅱ)与菲啶(Phend)的配合物,其组成为[Cu(κ^(1)‑Phend)_(2)Cl_(2)](1)和[Cu_(2)(κ^(1)‑Phend)_(2)(κ^(1)‑PPh_(3))_(2)(μ‑Cl)_(2)](2)。这些配合物的结构通过元素分析、摩尔电导率、FT‑IR、UV‑Vis和单晶X射线衍射进行了研究。典型配合物1的X射线衍射分析显示,Cu(Ⅱ)配位构型为扭曲的平面四方形,而双核配合物2的Cu(Ⅰ)中心为含μ‑Cl-离子的不规则四面体构型。FT‑IR谱、元素分析以及UV‑Vis谱证实了它们的成分、几何形状和配体相互作用。2种配合物的结构通过密度泛函理论(DFT)计算进行了优化,以解释电子光谱特性。Two new complexes of copper(Ⅰ)and copper(Ⅱ)with phenanthridine(Phend)of the following composition:[Cu(κ^(1)‑Phend)_(2)Cl_(2)](1)and[Cu_(2)(κ^(1)‑Phend)_(2)(κ^(1)‑PPh_(3))_(2)(μ‑Cl)_(2)](2)have been prepared in the presence of triphenylphosphine(PPh_(3))as a co‑ligand.The structures of these complexes have been investigated by elemental analysis,molar conductivity,FT‑IR,UV‑Vis,and single‑crystal X‑ray diffraction.X‑ray diffraction analysis of typical complex 1 reveals the distorted square planar geometry around copper(Ⅱ)whereas the binuclear complex 2 was irregular tetrahedral geometry around Cu(Ⅰ)center containing bridge Cl-ion.The FT‑IR spectra,elemental analysis as well as UV‑Vis spectra confirmed their components,geometries,and ligand interactions.The structures of both complexes have been optimized by density‑functional theory(DFT)calculations to explain the electronic spectral properties.CCDC:1983822,1;1983821,2.

关 键 词：铜(Ⅰ) 铜(Ⅱ) 杂合配合物 菲啶 X射线晶体学 密度泛函理论计算 

分 类 号：O614.121[理学—无机化学]