الخلاصة

Present work is a theoretical study of the structural and electronic properties of new five suggested platin metal complex isomers and compared with the reference cis-platin. The calculations are carried out using the Gaussian 09 package of programs by employing the B3LYP-SDD/DFT method. We showed the bonds of the cis-platin are agree with the experimental data, the change of the positions of the ligands in each metal complex leads to change the bonds due to the change of the coordination of each isomer. The results showed all the new five isomers have energy gap lower than that for the cis-platin due to different in both LUMO and HOMO. All the suggested isomers have new electronic applications with suitable energy gap, cis-platin has insulating behavior with large band gap. Also, we showed the suggested isomers have high ability to accepting an electron and become anions and they have high ability to interact with the surrounding species in comparison with the cis-platin. In the other hand, the new suggested isomers need small excitation energies to electron transfer due to high their electronic softness