دراسة تخليق ومقارنة نظرية لتفاعلات الاسترة لمشتقات البنزين ثنائي هيدروكسيل ونواتج البلمرة == The Study of Synthesis And Theoretical Comparison Esterification Reactions of Benzene Diol Derivatives And Polymerization Products
Author name:
هيفاء عدنان عبد الامير
Supervisor name:
سعدون عبد الله عودة | عباس عبد علي الصالحي
Abstract:
تضمنت الرسالة تحضير ليكاندات ازو جديدة] 2 - هيدروكسي - 3 - ((5 - ميركبتو - 4,3,1 - ثايادايازول - 2 - يل) دايازينيل) - 1 - نفثالديهايد[ (HL1) المشتق من 5 - امينو - 1،3،4 - ثايادايازول - 2 - ثايول مع 2 - هيدروكسي - 1 - نفثالديهايد. و3] - ((1،5 - ثنائي مثي | In this work new azo ligands [2 - Hydroxy - 3 - ((5 - mercapto - 1,3,4 - thiadiazol - 2 - yl)diazenyl) - 1 - naphth aldehyde] (HL1) derived from 5 - amino - 1,3,4 - thiadiazole - 2 - thiol and [2 - hydroxy - 1 - naphthaldehyde. And 3 - ((1,5 - Dimethyl - 3 - oxo - 2 - phenyl - 2,3 - dihydro - 1H - pyrazol - 4 - yl) diazen yl) - 2 - hydroxy - 1 - naphthaldehyde] (HL2) derived from 4 - amino - 1,5 - dimethyl - 2 - phenyl - 1H - pyrazol - 3(2H) - one and 2 - hydroxy - 1 - naphthal dehyde have been prepared. And it’s metal complexes of with VO2+, Cr3+, Mn2+, Co2+, Ni2+ and Cu2+ have been prepared with ligands. The ligands were characterized by physic - chemical spectroscopic techniques [(C.H.N.S.), FT - IR, UV - Vis, 1H and 13C - NMR, Mass and TGA DTA curve]. And characterized complexes by Elements micro analysis (C.H.N.S.), FT - IR, UV - Vis, Mass and TGA DTA curve, Flame atomic absorption, Magnetic susceptibility, Chloride containing and Molar electric conductivity.The spectral data suggested that the ligand (HL1) as a neutral bidentate is coordinated with metal ions through the nitrogen atom of azo group and oxygen atom of phenolic group for all complexes, the proposed geometry that the Mn2+, Co2+ and Ni2+ complexes have tetrahedral geometries, and the Cr3+ complex have octahedral geometries and the VO2+ complex have square pyramidal geometries, and Cu2+ complex have square planer geometries, molar ratio ligand : metal (1 : 1).The (HL2) as a neutral tridentate ligand is coordinated with metal ions through the nitrogen atom of azo group, oxygen atoms of phenolic group and carbonyl group of and for all complexes only with VO2+ complex is bidentate, the proposed geometry that the Mn2+, Co2+, Cu2+ Ni2+ and Cr3+ complexes have octahedral geometries, and the VO2+ complex have square pyramidal geometries, molar ratio ligand : metal (2 : 1). The effect of the time on the stability for the solution of complexes has been studied and the steady of the stability for all the metal complexes through the time has been noticed.Hyper Chem - 8 program has been used to predict the structural geometries of the compounds in the gas phase. The total energy, dipole moment, electrostatic energy, heat of formation, and binding energy at 298?K, was used to evaluate the vibrational spectra of the free ligands and compare the theoretically calculated wave numbers with the experimental values. From previously information we can suggest the stable geometries for all compounds and measured their bond length between their atoms in molecules.
