Abstract:
The work presented in this thesis concerns the synthesis and study of structural and optical properties by two different approaches; experimental and theoretical, of new complexes of Schiff bases (SIC and NIC) coordinated with nickel and copper. This manuscript consists of four chapters: The first chapter defines the concepts and methods of quantum chemistry as well as the approximations used in the calculations we performed in determining the different properties
of the synthesized complexes. A second chapter which concerns the synthesis protocols of our ligands and complexes. We also find there a characteristic study of the structures obtained by the usual spectroscopic methods (NMR 1H, IR, UV-Visible and DRX). In the third chapter, we present the study by the DFT and the TD-DFT, of the electronic structure and the optical properties of the ligands and the complexes synthesized, by the software Gaussian 09. The last chapter is devoted to the theoretical study of six hypothetical complexes imagined between our two ligands and three different metal centers (Zn, Pd and Cd). We end with a conclusion that highlights the most relevant results obtained as well as the prospects that are emerging in the short term.
