Department of Chemistry, Faculty of Arts and Sciences, Uludag University, 16059 Bursa, Turkey.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Sep;79(5):1171-8. doi: 10.1016/j.saa.2011.04.038. Epub 2011 May 10.
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.
合成了 saccharinate（sac）与 2-(2-吡啶基)苯并咪唑（pybim）的新型钯（II）和铂（II）配合物，并通过元素分析和光谱技术进行了表征。通过实验研究，这些配合物被表示为[Pd(pybim)(sac)2]（1）和[Pt(pybim)(sac)2]·4H2O（2）。使用密度泛函理论（DFT）方法在 B3LYP 水平下优化了两种配合物的基态几何形状。双齿 pybim 配体与两个 N 配位的 sac 配体一起，在钯（II）和铂（II）离子周围形成了正方形平面 MN4 配位几何形状。计算得到的 IR 和 UV-vis 光谱数据与实验结果相关联。热分析数据支持两个配合物的分子结构。
