Table 6: Some of energetic properties for the new complexes using DFT method.


Compound HOMO (eV) LUMO (eV) Binding energy (Kcal/mol) Kinetic energy (Kcal/mol) Total energy (Kcal/mol)

Ni2+ complex −5.279 −3.507 −2526.56 −3784.12 −8.23 × 105
Cu2+ complex −5.815 −5.049 −3168.67 −11031.58 −16.0 × 105
Pt4+ complex −6.053 −3.984 −2514.00 −7854.46 −20.54 × 105