تحضير وتشخيص وتقييم البايولوجية لمعقدات (Zn+2, Cu+2,Cd+2) مع بعض الليكندات الحديثة باستخدام الطرق العلمية والحاسوبية == Synthesis,characterization and biological evaluation of (Zn+2, Cu+2,Cd+2) complexes with new ligands by experimental and computational methods
Author name:
تحسين رضا علي السعدي
Supervisor name:
صلاح الدين جاسم | وسن باقر علي
General topic:
Chemistry
Specific topic:
Chemistry
Degree:
Master
University:
University of Diyala - College Of Science For Girls - chemistry department
Language:
Arabic
University location:
Diyala
First pages:
25T1635 - p.pdf
Abstract:
This work describes the synthesis of three new ligands which were : Compound W was prepared from reaction between N2H4 hydrazine group and 5 - amino - 1,3,4 - thiadiazole - 2 - thiol, It was used as intermediate compound for synthesis of L2.Synthesis of complexes C1 - C9 were performed using metal salts CdCl2.2H2O, ZnCl2, Cu(CH3COO)2.H2O. Each one of the three mentioned ligands was used to prepare complexes with three ions Zn+2 , Cd+2 and Cu+2.Computational methods in quantum chemistry were used to study several important parameters such as HOMO, LUMO, energy gap and the geometries of the metal ion complexes by using HF - B3LYP/3 - 21G for C2, C5 complexes, HF - B3LYP/6 - 31G for C1, C4, C7 complexes and DFT - B3LYP/3 - 21G for C8 complex.The program of Chem Bio 3D Ultra 13.0 and Personal computer were used to accomplish the computational study.All synthesized chemicals in this work (ligands and complexes) have been characterized by atomic absorption , molar conductivity, chlorine analysis, TLC, melting point, UV - Visible, FTIR and 1H - NMR.The complexes were screened for their antimicobacterial activity against two types of bacteria which are Escherichia coli ( - ), staphylococcus aureus (+), using three types of concentration for each complex and DMSO as solvent. These complexes are shown various activities of inhibition for these bacteria .
