[Ru(3-OH-py-2-COO)₂(PPh₃)₂] | 1412573-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: [Ru(3-OH-py-2-COO)₂(PPh₃)₂]
• CAS: 1412573-61-5
• 化学式: C₄₈H₃₈N₂O₆P₂Ru
• 分子量: 901.857
• InChiKey: XLIDPTYNMOXXPG-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

• 作为产物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 3-羟基-2-吡啶甲酸 以 甲醇 为溶剂， 反应 3.0h， 以74%的产率得到[Ru(3-OH-py-2-COO)₂(PPh₃)₂]
  参考文献：
  名称：

  Synthesis, molecular, spectroscopic and catalytic characterization of ruthenium(II) complexes with pyridine-2-carboxylic acid derivatives ligands

  摘要：

  The ruthenium(II) complexes [RuH(CO)(6-OH-py-2-COO)(PPh3)(2)] (1) and [Ru(3-OH-py-2-COO)(2)(FFh(3))(2)] (2) have been prepared in the reactions of [RuHCI(CO)(PPh3)(3)] and [RuCl2(PPh3)(3)] with 6-hydroxy- and 3-hydroxypyridine-2-carboxylic acids. The complexes have been characterized by IR, UV-Vis, NMR spectroscopy and X-ray crystallography. Based on the crystal structures, computational investigations were carried out in order to determine the electronic structures of the complexes. The electronic spectra were calculated with the use of time-dependent DFT methods, and correlated with the molecular orbitals of the complexes. The emission properties of the complexes have been examined and quantum efficiencies equal to 0.084 for the hydride carbonyl complex (1) and 0.046 for complex (2) have been determined. The catalytic activity in the reaction of the double bond migration in 4-allyloxybutan-1-ol for both the complexes was tested. Under properly selected reaction conditions, complex (1) selectively catalyzes double bond migration leading to 1-propenyloxyalcohol. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.09.021