Pd(2-(2-pyridyl)benzimidazole)(saccharinate)2 | 1314300-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Pd(2-(2-pyridyl)benzimidazole)(saccharinate)2
• 英文别名: Pd(pybim)(sac)2
• CAS: 1314300-71-4
• 化学式: C₂₆H₁₇N₅O₆PdS₂
• 分子量: 666.003
• InChiKey: GBUOKVLVRVWPKU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Pd(2-(2-pyridyl)benzimidazole)(saccharinate)2 以 neat (no solvent) 为溶剂， 生成 钯
  参考文献：
  名称：

  Synthesis, experimental and theoretical characterization of palladium(II) and platinum(II) saccharinate complexes with 2-(2-pyridyl)benzimidazole

  摘要：

  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)]center dot 4H(2)O (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. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.04.038
• 作为产物：
  描述：

  [dichloro(2-(2-pyridyl)benzimidazole)palladium(II)] 、 sodium saccharinate dihydrate 以 水 、 二甲基亚砜 为溶剂， 以85%的产率得到Pd(2-(2-pyridyl)benzimidazole)(saccharinate)2
  参考文献：
  名称：

  Synthesis, experimental and theoretical characterization of palladium(II) and platinum(II) saccharinate complexes with 2-(2-pyridyl)benzimidazole

  摘要：

  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)]center dot 4H(2)O (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. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.04.038