Étude théorique du procédé d’extraction des métaux de transition

Abstract

This manuscript is devoted to the theoretical study of the process of extraction of transition metals; this study on the Schiff-based hydroxy molecules using the ADF software by the use of the GGA-BLYP approximation is the TZP base which allows us to determine the structural and energetic properties of Schiff's hydroxy base ligands. Schiff bases are at the base of this process, the interaction between the Schiff's hydroxy bases and the metal ions in the medium where they exist leads to the formation of complexes that can be used in several applications. But the presence of substituent on the Schiff base phenyl ring leads to complexes with different reactivity; this directly affects the extraction yield. Key words: program ADF, the Schiff-based hydroxy, transition metals,the metal ions, the extraction.