TD-DFT study of palladium (II) complexes with 1-(2′-hydroxy-1′-naphthylazo)-2-hydroxynaphthalene ligand

Abstract

The electronic structures of the palladium (II) complexes with 1-(2′-hydroxy-1′-naphthylazo)-2-hydroxynaphthalene ligand have been calculated using a TD-DFT (time-dependent density functional theory) model and the simulated spectra of the palladium (II) complexes are in close agreement with the experimental spectra.