Nature of metal-ligand bond in some metal complexes of a number oftetradentate(N2O2) 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)[1].Thisinterest is still growing due to their attractive properties, simple synthesis,stability, low toxicity,good biocompatibility [2] and diverse fields of applications inindustry, medicine, analytic andcatalysis [3].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(N2O2) asymmetric Schiff base ligands (Salpyr). Thegoemetry of all complexes wereoptimzed at BP86-D3/TZ2P level of theory using ADFprogram.Then, thenature of bond in the mentioned complexes was studied with an EnergyDecomposion Analysis of metal−ligand bond

کلیدواژه های Nature of metal-ligand bond in some metal complexes of a number oftetradentate(N2O2) asymmetric Schiff baseligands:

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