(η5-C5H5)WCo(CO)7 | 62015-64-9

• 英文名称: (η5-C5H5)WCo(CO)7
• 英文别名: [CoW(η5-cyclopentadienyl)(CO)7]
• CAS: 62015-64-9
• 化学式: 7CO*C₅H₅*CoW
• 分子量: 504.011
• InChiKey: QPEGFGBGLFHREH-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：
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• 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

• 作为反应物：
  描述：

  (η5-C5H5)WCo(CO)7 、 丙炔酸甲酯 以 正己烷 为溶剂， 以67%的产率得到(η5-C5H5)WCo(CO)5(μ-η2,η2-MeOC(O)CCH)
  参考文献：
  名称：

  CpMCo（CO）7（M = Mo，W）配合物对各种炔烃的反应性研究

  摘要：

  DOI：

  10.1021/om00161a032

文献信息

• Perpendicular to parallel reorientation of a terminal alkyne on a mixed-metal triangle; synthesis and structural characterisation
  作者：Martin J. Mays、Paul R. Raithby、Koshala Sarveswaran、Gregory A. Solan

  DOI：10.1039/b110874n

  日期：2002.4.9

  Reaction of [Fe2(CO)6(μ-η2-CCPh)(μ-PPh2)] 1 with [W2(CO)4(η5-C5H5)2] affords the coordinatively unsaturated 46-electron trinuclear Fe2W cluster [Fe2W(CO)5(η5-C5H5)μ3-η2-(⊥)-HCCPh}(μ-CO)(μ-PPh2)] 2, in which an Fe–W edge is perpendicularly-bridged by a terminal alkyne molecule. Treatment of 1 with [Mo2(CO)4(η5-C5H5)2] also gives a 46-electron cluster, [Fe2Mo(CO)5(η5-C5H5)μ3-η2-(⊥)-HCCPh}(μ-CO)(μ-PPh2)] 3, the molybdenum analogue of 2 and, in addition, the saturated 48-electron FeMo2 trinuclear cluster [FeMo2(CO)5(η5-C5H5)2μ3-η2-(⊥)-CCPh}(μ-PPh2)] 4, in which an acetylide ligand perpendicularly bridges an Fe–Mo bond. The trimetallic FeWCo acetylide-bridged species, [FeWCo(CO)6(η5-C5H5)μ3-η2-(⊥)-CCPh}(μ-PPh2)] 5, is the unique product when 1 is treated with the WCo heterobimetallic complex [CoW(η5-C5H5)(CO)7], while the corresponding reaction of 1 with [CoMo(η5-C5H5)(CO)7], leads to 3 and the molybdenum analogue of 5, [FeMoCo(CO)6(η5-C5H5)μ3-η2-(⊥)-CCPh}(μ-PPh2)] 6. Carbonylation of 3 at elevated pressure (80 atm CO) results in a ⊥–‖ alkyne reorientation to give the 48-electron cluster, [Fe2Mo(CO)6(η5-C5H5)μ3-η2-(‖)-HCCPh}(μ-CO)(μ-PPh2)] 7, as the sole product. Conversion of 7 back to 3 has been shown to occur in solution at room temperature. Single crystal X-ray diffraction studies have been performed on 2, 3, 4, 6 and 7.

  [Fe2(CO)6(μ-η2-CCPh)(μ-Ph2)]1与[W2(CO)4(η5-C5H5)2]反应生成配位不饱和的 46 电子三核 Fe2W 簇[ (CO)5(η5- )μ3-η2-(⊥)-HCPh}(μ-CO)(μ-Ph2)]2、其中，Fe-W 边缘与末端的炔分子垂直桥接。饱和的 48 电子 FeMo2 三核团簇[FeMo2(CO)5(η5- )2μ3-η2-(⊥)-CCPh}(μ-Ph2)]4，其中乙酰配体垂直桥接一个 Fe-Mo 键。三金属 FeWCo 乙酰基桥接物种 [FeWCo(CO)6(η5- )μ3-η2-(⊥)-CCPh}(μ-PPh2)] 5 是 1 与 WCo 杂双金属配合物 [CoW(η5- )(CO)7] 处理时的独特产物、1 与[CoMo(η5- )(CO)7]的相应反应则会生成 3 和 5 的钼类似物[FeMoCo(CO)6(η5- )μ3-η2-(⊥)-CCPh}(μ-PPh2)] 6。3 在高压（80 atm CO）下羰基化会导致"⊥-"炔重新定向，从而得到 48 电子簇 [Fe2Mo(CO)6(η5- )μ3-η2-(‖)-HCCPh}(μ-CO)(μ-PPh2)] 7，它是唯一的产物。事实证明，7 在室温下可在溶液中转化回 3。对 2、3、4、6 和 7 进行了单晶 X 射线衍射研究。