Synthesis, Molecular Spectroscopy, Computational, Thermal Analysis and Biological Activity of Some Orotic Acid Complexes  

作　　者：Mamdouh S. Masoud Alaa E. Ali Ashimaa S. Abd Elfatah Gomaa E. Amer Mamdouh S. Masoud;Alaa E. Ali;Ashimaa S. Abd Elfatah;Gomaa E. Amer(Chemistry Department, Faculty of Science, Alexandria University, Alexandria, Egypt;Chemistry Department, Faculty of Science, Damanhour University, Damanhour, Egypt)

机构地区：[1]Chemistry Department, Faculty of Science, Alexandria University, Alexandria, Egypt [2]Chemistry Department, Faculty of Science, Damanhour University, Damanhour, Egypt

出　　处：《Open Journal of Inorganic Non》2021年第1期1-22,共22页无机非金属材料（英文）

摘　　要：Binary orotic acid metal complexes of Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II), and two mixed metals complexes of (Co(II), Ni(II)) and (Ni(II), Cu(II)) were synthesized and characterized by elemental analysis, IR, electronic spectra, magnetic susceptibility, and ESR spectra. The Analysis proved that the ligand has different coordination modes and the complexes were of octahedral, tetrahedral, and trigonal bipyramidal geometries. Molecular modeling techniques and quantum chemical methods have been performed for orotic acid to calculate charges, bond lengths, bond angles, dihedral angles, electronegativity (χ), chemical potential (μ), global hardness (η), softness (σ) and the electrophilicity index (ω). The thermal decomposition of the complexes was monitored by TGA, DTA, and DSC techniques under the N2 atmosphere. The thermal decomposition mechanisms of the complexes were suggested. The biological activity of orotic acid and some of the complexes are tested against antibacterial and antifungal organisms.Binary orotic acid metal complexes of Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II), and two mixed metals complexes of (Co(II), Ni(II)) and (Ni(II), Cu(II)) were synthesized and characterized by elemental analysis, IR, electronic spectra, magnetic susceptibility, and ESR spectra. The Analysis proved that the ligand has different coordination modes and the complexes were of octahedral, tetrahedral, and trigonal bipyramidal geometries. Molecular modeling techniques and quantum chemical methods have been performed for orotic acid to calculate charges, bond lengths, bond angles, dihedral angles, electronegativity (χ), chemical potential (μ), global hardness (η), softness (σ) and the electrophilicity index (ω). The thermal decomposition of the complexes was monitored by TGA, DTA, and DSC techniques under the N2 atmosphere. The thermal decomposition mechanisms of the complexes were suggested. The biological activity of orotic acid and some of the complexes are tested against antibacterial and antifungal organisms.

关 键 词：Orotic Acid SYNTHESIS COMPLEXES CHARACTERIZATION Thermal Analysis Biological Activity 

分 类 号：O62[理学—有机化学]