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Synthesis, Characterization, and X-ray Crystal Structure Analysis of Cu(Ⅰ)/Cu(Ⅱ) Complexes of Phenanthridine and Triphenylphosphine
Author NameAffiliationE-mail
Hikmat Ali Mohamad Department of Chemistry, College of Education, University of Salahaddin, Erbil, Iraq hikmatmohamad@yahoo.com 
Karwan Omer Ali Department of Physics, College of Science, University of Halabja, Halabja, Iraq  
Eric Hosten Department of Chemistry, Faculty of Science, Nelson Mandela Metropolitan University, Port Elizabeth, South Africa  
Thomas Gerber Department of Chemistry, Faculty of Science, Nelson Mandela Metropolitan University, Port Elizabeth, South Africa  
Abstract: Two new complexes of copper(Ⅰ) and copper(Ⅱ) with phenanthridine (Phend) of the following composition:[Cu(κ1-Phend)2Cl2] (1) and[Cu2(κ1-Phend)2(κ1-PPh3)2(μ-Cl)2] (2) have been prepared in the presence of triphenylphosphine (PPh3) 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.
Keywords: copper(Ⅰ)  copper(Ⅱ)  heteroleptic complex  phenanthridine  X-ray crystallography  density-functional theory computation
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Hikmat Ali Mohamad,Karwan Omer Ali,Eric Hosten,Thomas Gerber.Synthesis, Characterization, and X-ray Crystal Structure Analysis of Cu(Ⅰ)/Cu(Ⅱ) Complexes of Phenanthridine and Triphenylphosphine[J].Chinese Journal of Inorganic Chemistry,2021,37(6):1106-1112.
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Chinese Journal of Inorganic Chemistry