WITHDRAWN: Electronic properties and UV–Vis spectra for some suggested Cyclohexane-1,2-diamine-oxalate- platinum metal complexes: SDD-B3LYP/DFT calculations

Abstract

Abstract In this theoretical analysis, the B3LYP-DFT approach was combined with the Stuttgart Dresden Triple Zeta ECPs (SDD) basis sets to looked at the electronic structures of oxaliplatinum and some suggested oxaliplatinum metal complexes are Bipyridine-oxalate-platinum O1, Bipyridine-diol-oxalate-platinum O2, and anthracene-diamine-oxalate-platinum O3. We demonstrated that all of the new suggested complexes have a lower energy gap than oxaliplatinum, and that they are also more energetic than oxaliplatin because of their high molecular polarizability. The indicated oxaliplatinum complexes (O1, O2, and O3) have a lower global hardness than oxaliplatinum, meaning that they are more soft complexes in this paper and therefore active complexes to interact with other molecules or species, according to the quantum chemical parameters calculations. The potential of a complex to interact with an enzyme increases as the EHOMO of the complex increases and the ELUMO of the complex decreases.