Characterization, molecular structures and fluorescent properties of Pd(II) and Ni(II) complexes with 1-benzyl-2-methylimidazole

The paper presents a combined experimental and computational study of Pd(II) and Ni(II) complexes containing chloride, thiocyanate and 1-benzyl-2-methylimidazole ligands. The complexes were studied by IR, 1H NMR, UV–Vis spectroscopy and X-ray crystallography. Electronic structures of the complexes have been calculated using the density functional theory (DFT) method. Spin-allowed electronic transitions have been calculated using the time-dependent DFT method and the UV–Vis spectrum has been discussed on this basis. Luminescence properties of the complexes have been examined.

The combined experimental and computational study of Pd(II) and Ni(II) complexes containing chloride, thiocyanate and 1-benzyl-2-methylimidazole ligands are presented. The complexes were studied by IR, 1H NMR, UV–Vis spectroscopy and X-ray crystallography. Electronic structures of the complexes have been calculated using the density functional theory (DFT) method. Spin-allowed electronic transitions have been calculated using the time-dependent DFT method and the UV–Vis spectrum has been discussed on this basis. Luminescence properties of the complexes have been examined and discussed.Figure optionsDownload as PowerPoint slide