Search In this Thesis
   Search In this Thesis  
العنوان
Structural and quantum investigation of some schiff’s bases complexes and their applications \
المؤلف
Fouda, Doaa Mohamed Belal Shaaban.
هيئة الاعداد
باحث / دعاء محمد شعبان فوده
مشرف / جابر محمد أبو الريش
مشرف / أسامة إبراهيم العيان
مناقش / محمد مصطفي الجميل
مناقش / عادل ذكي السنباطي
الموضوع
metal complexes. Schiff base. coordination manners.
تاريخ النشر
2022.
عدد الصفحات
online resource (192 pages) :
اللغة
الإنجليزية
الدرجة
ماجستير
التخصص
الكيمياء
تاريخ الإجازة
1/1/2022
مكان الإجازة
جامعة المنصورة - كلية العلوم - قســـم الكـــيمياء
الفهرس
Only 14 pages are availabe for public view

from 192

from 192

Abstract

The introduction (first chapter) of this thesis includes a literature survey of the previous work carried out on spectral studies and different applications of two Schiff base Ligands and their medical importance.The experimental part (second chapter) of the thesis includes the materials and reagents as well as the experimental and physical techniques. It comprised details concerning the materials, synthesis of two ligands and their metal complexes, instruments used, working procedures, and methods of calculations.Results and discussion (third chapter) include the following information:1-The purposed chemical formulae of two ligands and heir metal complexes are in good agreement with the stoichiometries concluded from their analytical data of carbon, hydrogen, nitrogen, chloride, and metal contents.2-Most of the isolated compounds are of high melting points (>300˚C) and are insoluble in most organic solvents except DMSO, and Chloroform.3-The coordination manners of the ligand to the different metal ions and the nature of the coordinating groups have been elucidated using FT-IR, NMR, and UV-Vis spectra.4-Different modes of coordination for the ligand are suggested based on a careful comparison between the spectra of the ligand and its metal complexes.5-Geometries of the isolated compounds were suggested based on the data obtained from their spectral and magnetic measurements.6-Detailed thermal analysis for the metal complexes was performed in a temperature range from 20-800˚C and from 20-1000˚C. The thermograms show the decomposition steps after which a constant weight is observed corresponding to the remaining part of the complex; residue mostly metal oxide (MO).7-To assess the influence of the structural properties of the ligands and the type of the metal on the thermal behavior of the complexes, the order (n) and the heat of activation (Ea) of the various decomposition stages are determined from the TG and DTG using the coats-Redfern and Horowitz-Metzger methods. This section also includes the determination of the thermodynamic parameters of activation (ΔH*, ΔS*, and ΔG*) which can be calculated by the Eyring equation.8-Molecular modeling is drawn and demonstrated both bond lengths and angles, chemical reactivity, MEP, Mulliken atomic charges, and binding energy (kcal/mol) for the investigated compounds.9-Fluorescence of the free ligand in the absence and presence of Co(II), and Zn(II) ions and the influence of adding different concentrations of the metal ions to the ligand was also studied.10-The biological activity of the compounds was investigated for their antimicrobial activity, antioxidant activity, and anticancer activity. The final part of this chapter deals with the molecular docking of the isolated compounds against 6vj3 and 2w3l targets.Key Words ( not more than 10 )Schiff base- metal complexes- coordination manners - molecular docking