[Ru(CCC6H4CCC6H4CO2CH3)(1,2-bis(diphenylphosphino)ethane)(C5(CH3)5)] | 1318759-22-6

• 英文名称: [Ru(CCC6H4CCC6H4CO2CH3)(1,2-bis(diphenylphosphino)ethane)(C5(CH3)5)]
• CAS: 1318759-22-6
• 化学式: C₅₄H₅₀O₂P₂Ru
• 分子量: 894.007
• InChiKey: FUQFKASYPATHEP-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  pentamethylcyclopentadienyl(1,2-bis(diphenylphosphino)ethane)chlororuthenium(II) 、 methyl 4-[2-(4-ethynylphenyl)ethynyl]benzoate 在 NH₄PF₆ 、 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) 作用下， 以 甲醇 为溶剂， 以49%的产率得到[Ru(CCC6H4CCC6H4CO2CH3)(1,2-bis(diphenylphosphino)ethane)(C5(CH3)5)]
  参考文献：
  名称：

  Ligand redox non-innocent behaviour in ruthenium complexes of ethynyl tolans

  摘要：

  A small series of half-sandwich bis(phosphine) ruthenium acetylide complexes [Ru(C CC6H4C CSiMe3) (L-2)Cp'] and [Ru(C=CC6H4C=CC6H4R-4)(L-2)Cp'] (R = OMe, Me, CO2Me, NO2; L-2 = (PPh3)(2), Cp' = Cp; L-2 = dppe; Cp' = Cp*) have been synthesised. One-electron oxidations of these complexes gave the corresponding radical cations, which were significantly more chemically stable in the case of the Ru(dppe) Cp/ derivatives. The representative complex [Ru(C CC6H4C CC6H4OMe-4)(dppe)Cp*] was further examined by spectroelectrochemical (IR and UV-Vis-NIR) methods. The results of the spectroelectrochemical studies, supported by DFT calculations, indicate that the hole is largely supported by the 'RuC CC6H4' moiety in a manner similar to that described previously for simple aryl ethynyl complexes, rather than being more extensively delocalized along the entire conjugated ligand. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.043