[(5-(4-hydroxybenzoyl)pyrazine-2-carboxylate)(carbonyl)bis(triphenylphosphino)hydridoruthenium(II)]-methanol-water (1/1/1) | 1383731-16-5

• 英文名称: [(5-(4-hydroxybenzoyl)pyrazine-2-carboxylate)(carbonyl)bis(triphenylphosphino)hydridoruthenium(II)]-methanol-water (1/1/1)
• CAS: 1383731-16-5
• 化学式: CH₄O*C₄₉H₃₈N₂O₅P₂Ru*H₂O
• 分子量: 947.926
• InChiKey: ZGVMOGXXKTVZOF-UHFFFAOYSA-M

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：

  甲醇 、 [RuHCl(CO)(PPh₃)₃] 、 5-(4-hydroxybenzoyl)pyrazine-2-carboxylic acid 、 水 以 甲醇 为溶剂， 生成 [(5-(4-hydroxybenzoyl)pyrazine-2-carboxylate)(carbonyl)bis(triphenylphosphino)hydridoruthenium(II)]-methanol-water (1/1/1)
  参考文献：
  名称：

  Synthesis, characterization and molecular structure of Ru(II) complex with benzoylpyrazine carboxylic acid derivatives

  摘要：

  Two benzoylpyrazine ligands containing carboxyl and amide functions and their hydride-carbonyl complexes of ruthenium were synthesized and characterized by infrared, proton, carbon phosphorus nuclear magnetic resonance, electronic absorption and emission spectroscopy and X-ray crystallography. The experimental studies were completed by theoretical calculations. From the electronic spectrum of the complex the Racah's and nepheloauxetic parameters are calculated. The electronic structure of the complexes, presented in particular by the density of states diagram, have been correlated with its ability to fluoresce and used to analyze the UV-Vis spectra. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.04.033