Abstract
Six dimeric transitional metal complexes with ON-NO donor bis-bidentate azodye ligand 4,4’-(1E,1’E)-(5,5’-(propane-2,2-diyl)bis(2-hydroxy-5,1-phenylene)bis(diazene-2,1-diyl)dibenzenesulfonic acid (PDHPDDDBSA) have been synthesised and characterized by elemental, analytical, conductivity measurement, magnetic moments, spectral, thermal, X-ray diffraction (powder pattern) and theoretical methods. The Co(II) and Ni(II) complexes are found to be octahedral, Cu(II) complex is distorted-octahedral and a tetrahedral stereochemistry has been suggested to Zn(II), Cd(II) and Hg(II) complexes. The thermal analysis data provided the kinetic parameters as order of decomposition reaction, activation energy and frequency factor. All theoretical calculations of the ligand and the Cu(II) and Zn(II) complexes were made using Gaussian 03 rev. A.01 programme package hybrid DFT/B3LYP hybrid functional level of theory with LANL2DZ basic set for copper and zinc atoms in gas phase and 6-31 G(d,p) basic set for other atoms. The DFT study of the ligand and the complexes is used to calculate the bond length, bond angle, HOMO, LUMO and dipole moment values. The calculated HOMO-LUMO energy gap shows that a charge transfer occurs within the molecule. The Cd(II) complex is found to have an orthorhombic crystal system. KEY WORDS: Azodye complexes, Thermogravimetric study, Theoretical study (DFT/B3LYP) Bull. Chem. Soc. Ethiop. 2016, 30(1), 87-100. DOI: http://dx.doi.org/10.4314/bcse.v30i1.8
Highlights
A large number of publications have been made in recent years with azodye ligands containing nitrogen, oxygen and sulfur donor atoms and their metal complexes ranging from pure synthetic works to physiochemical and biological studies [1]
In continuation to our previous works [8], we report here the synthesis of one bis-bidentate azodye (Figure 1) and its six dimeric metal complexes
The metal complexes were prepared according to the following reaction scheme: 2MCl2 nH2O + LH2
Summary
A large number of publications have been made in recent years with azodye ligands containing nitrogen, oxygen and sulfur donor atoms and their metal complexes ranging from pure synthetic works to physiochemical and biological studies [1]. In the electronic spectrum of CoII complex, four ligand field bands appear at 8255, 16520 20442 and 32390 cm-1. In the electronic spectrum of NiII complex, four ligand field bands are observed at 10235, 17388, 24995 and 32750 cm-1 assignable to 3A2g(F) 3T2g(F) (ν1), 3T1g(F) (ν2), 3T1g(P) (ν3) and CT transition [22], respectively in an octahedral geometry.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
