Article ID Journal Published Year Pages File Type
1334670 Polyhedron 2013 9 Pages PDF
Abstract

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.

Graphical abstractThe 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 full-size imageDownload as PowerPoint slide

Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
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