| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1236503 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2011 | 8 Pages |
New palladium(II) and platinum(II) complexes of saccharinate (sac) with 2-(2-pyridyl)benzimidazole (pybim) have been synthesized and characterized by elemental analysis and spectroscopic techniques. From the experimental studies, these complexes were formulated as [Pd(pybim)(sac)2] (1), and [Pt(pybim)(sac)2]·4H2O (2). The ground-state geometries of both complexes were optimized using density functional theory (DFT) methods at the B3LYP level. A bidentate pybim ligand together with two N-coordinated sac ligands form the square-planar MN4 coordination geometry around the palladium(II) and platinum(II) ions. The calculated IR and UV–vis spectral data have been correlated to the experimental results. Thermal analysis data support the molecular structures of both complexes.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► New palladium(II) and platinum(II) saccharinate complexes with 2-(2-pyridyl)benzimidazole. ► The square-planar geometries of the complexes were optimized by DFT at the B3LYP level. ► The complexes were spectroscopically characterized. ► Experimental and theoretical (DFT) data are in agreement.
