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

摘要

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.