fac-(PPh4)[Ru(CN)3(CO)3] | 418754-31-1

• 英文名称: fac-(PPh4)[Ru(CN)3(CO)3]
• CAS: 418754-31-1
• 化学式: C₆N₃O₃Ru*C₂₄H₂₀P
• 分子量: 602.551
• InChiKey: SUDYBGUCAYOUSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  sodium cyanide 、 一氧化碳 、 三氯化钌 、 四苯基氯化膦 以 乙二醇乙醚 为溶剂， 以55%的产率得到fac-(PPh4)[Ru(CN)3(CO)3]
  参考文献：
  名称：

  Preparative and Structural Studies on the Carbonyl Cyanides of Iron, Manganese, and Ruthenium:  Fundamentals Relevant to the Hydrogenases

  摘要：

  The reaction of cyanide, carbon monoxide, and ferrous derivatives led to the isolation of three products, trans- and cis-[Fe(CN)(4)(CO)(2)](2-) and [Fe(CN)(5)(CO)](3-), the first two of which were characterized by single-crystal X-ray diffraction. The new compounds show self-consistent IR, C-13 NMR, and mass spectroscopic properties. The reaction of trans[Fe(CN)(4)(CO)(2)](2-) with Et4NCN gives [Fe(CN)(5)(CO)](3-) via a first-order (dissociative) pathway. The corresponding cyanation of cis-[Fe(CN)(4)(CO)(2)](2-), which is a minor product of the Fe(II)/CN-/CO reaction, does not proceed at measurable rates, Methylation of [Fe(CN)(5)(CO)](3-) gave exclusively cis-[Fe(CN)(4)(CNMe)(CO)](2-), demonstrating the enhanced nucleophilicity of CN- trans to CN- vs CN- trans to CO. Methylation has an electronic effect similar to that of protonation as determined electrochemically. We also characterized [M(CN)(3)(CO)(3)](n-) for Ru (n = 1) and Mn (n = 2) derivatives. The Ru complex, which is new, was prepared by cyanation of a [RuCl2(CO)(3)](2) solution.

  DOI：

  10.1021/ic011030l