The Effect of a Co(II) Ion on the Electronic Properties of some New Salophen Type Ligands by Theoretical Study

Recently, there has been an increased interest in the chemistry of transition metalcomplexes containing N2O2 coordination sites such as salicylidenes. Salicylidenes such assalophens are easily prepared from condensation reaction of 1,2-phenylenediamine or theirderivatives with salicylaldehyde. Salophen metal complexes are formed by the reaction of bothmain and transition metal ions. The preparation method of theses complexes are easy and simple.A variety of these complexes have found applications as optical and electroluminescentmaterials, catalytic and biological activities [1-4].Herein, the effect of Co(II) ion on the electronic properties of two new salophen ligandswas experimentally and theoretically evaluated. To comparison of Co complexes with theligands for potential use in optical devices such as solar cells, the energy of HOMO and LUMOorbitals was calculated at the DFT level. The results indicated band gaps of complexes decreasesand so they can be used in organic electronics.

کلیدواژه ها:

Transition Metal ، Electronic Properties ، Salophen Ligand