[Ru^II(2,2′-bipyridine-6,6′-dicarboxylate)(4-(Me₂N)-pyridine)₂] | 1445769-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: [Ru^II(2,2′-bipyridine-6,6′-dicarboxylate)(4-(Me₂N)-pyridine)₂]
• 英文别名: [Ru^II(bda)(4-(Me₂N)-pyridine)₂]；6-(6-carboxylatopyridin-2-yl)pyridine-2-carboxylate;N,N-dimethylpyridin-4-amine;ruthenium(2+)
• CAS: 1445769-11-8
• 化学式: C₂₆H₂₆N₆O₄Ru
• 分子量: 587.6
• InChiKey: ZUEVBFZYYVBAOA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-二甲氨基吡啶 、 2,2'-联吡啶-6,6'-二羧酸 、 cis-[Ru(dmso)₄Cl₂] 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以27%的产率得到[Ru^II(2,2′-bipyridine-6,6′-dicarboxylate)(4-(Me₂N)-pyridine)₂]
  参考文献：
  名称：

  Insights into Ru-Based Molecular Water Oxidation Catalysts: Electronic and Noncovalent-Interaction Effects on Their Catalytic Activities

  摘要：

  A series of Ru-bda water oxidation catalysts [Ru(bda)L-2] (H(2)bda = 2,2'-bipyridine-6,6'-dicarboxylic acid; L = [HNEt3][3-SO3-pyridine], 1; 4-(EtOOC)-pyridine, 2; 4-bromopyridine, 3; pyridine, 4; 4-methoxypyridine, 5; 4-(Me2N)-pyridine, 6; 4-[Ph(CH2)(3)]-pyridine, 7) were synthesized with election-donating/-withdrawing groups and hydro-philic/hydrophobic groups in the axial ligands. These complexes were characterized by H-1 NMR spectroscopy, high-resolution mass spectrometry, elemental analysis, and electrochemistry. In addition, complexes 1 and 6 were further identified by single crystal X-ray crystallography, revealing a highly distorted octahedral configuration of the Ru coordination sphere. All of these complexes are highly active toward Ce-IV-driven (Ce-IV = Ce(NH4)(2)(NO3)(6)) water oxidation with oxygen evolution rates up to 119 mols of O-2 per mole of catalyst per second. Their structure-activity relationship was investigated. Electron-withdrawing and noncovalent interactions (attraction) exhibit positive effect on the catalytic activity of Ru-bda catalysts.

  DOI：

  10.1021/ic302687d