Nature of metal-ligand bond in some metal complexes of a number oftetradentate(N۲O۲) asymmetric Schiff baseligands

Schiff-base ligands and their coordination compounds have attracted the esearchers’attentionand taken an important area in chemistry as compounds having azomethine inkage(C═N)[۱].Thisinterest is still growing due to their attractive properties, simple synthesis,stability, low toxicity,good biocompatibility [۲] and diverse fields of applications inindustry, medicine, analytic andcatalysis [۳].To the best of our knowledge the nature of bond in metal complexes of salentypeligands have never been studied. Herein, we want to report a theoretical study on the strength andnature of metal−ligand bondin tetradentate(N۲O۲) asymmetric Schiff base ligands (Salpyr). Thegoemetry of all complexes wereoptimzed at BP۸۶-D۳/TZ۲P level of theory using ADFprogram.Then, thenature of bond in the mentioned complexes was studied with an EnergyDecomposion Analysis of metal−ligand bond

کلیدواژه ها:

Theoretical Study ، Schiff basecomplexes ، Interaction and stabilization energies ، Natureof bond