[(η6-indene)(hydrido)(((C6H5)2P)2CH2)ruthenium]CF3SO3 | 297766-41-7

• 英文名称: [(η6-indene)(hydrido)(((C6H5)2P)2CH2)ruthenium]CF3SO3
• CAS: 297766-41-7
• 化学式: CF₃O₃S*C₃₄H₃₁P₂Ru
• 分子量: 751.708
• InChiKey: LXRPYXFPLATWRX-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

• 作为反应物：
  描述：

  [(η6-indene)(hydrido)(((C6H5)2P)2CH2)ruthenium]CF3SO3 在 (C₂H₅)3N 作用下， 以 氘代四氢呋喃 为溶剂， 生成 Ru(H)(η(5)-indenyl)(bis(diphenylphosphino)methane)
  参考文献：
  名称：

  Protonation of η⁵-Indenyl Ruthenium Hydride Complexes (η⁵-C₉H₇)Ru(L₂)H and η⁵−η⁶ Haptotropic Rearrangement. X-ray Crystal Structures of (η⁵-C₉H₇)Ru(dppm)H and [(η⁶-C₉H₈)Ru(dppp)H]⁺

  摘要：

  Protonation of indenyl complexes (eta(5)-C9H7)Ru(dppm)H and (eta(5)-C9H7)Ru(PPh3)(2)H with CF3-SO3H or HBF4. Et2O at -60 degrees C gives the eta(2)-dihydrogen complex [(eta(5)-C9H7)Ru(dppm)(H-2)](+) and the dihydride [(eta(5)-C9H7)Ru(PPh3)(2)H-2](+), respectively. Upon warming to room temperature, proton shift from the eta(2)-H-2 ligand of the former to the indenyl ligand and subsequent migration of the metal fragment from the five-membered ring to the six-membered ring of the indene Ligand results in the formation of the eta(6)-indene complex [(eta(6)-C9H8)Ru(dppm)H](+). The PPh3 analogue[(eta(6)-C9H8)Ru(PPh3)(2)H](+) is formed in a similar fashion, but in this case, the proton shift is from Ru-H to the indenyl ligand. Low-temperature acidification of (eta(5)-C9H7)Ru(dppe)H and (eta(5)-C9H7)Ru(dppp)H yield mixtures of eta(2)-dihydrogen complex and dihydride in both cases. Similar to the dppm and PPh3 analogues, eta(6)-indene complexes [(eta(6)-C9H8)Ru(dppe)H](+) and [(eta(6)-C9H8)Ru(dppp)H](+) are generated upon warming solutions of the eta(2)-dihydrogen complex/dihydride mixtures to room temperature. In the dppp system, the eta(5) --> eta(6) haptotropic rearrangement only occurs after the eta(2)-dihydrogen complex --> dihydride tautomerization is nearly completed, whereas in the dppe system the two processes seem to occur simultaneously. The parent hydride complexes (eta(5)-C9H7)Ru(L-2)H can be regenerated upon deprotonation of the eta(6)-indene complexes with Et3N. Crystal structures of (eta(5)-C9H7)-Ru(dppm)H and [(eta(6)-C9H8)Ru(dppp)H](+) have been determined by X-ray crystallography; both complexes have three-legged piano-stool structures.

  DOI：

  10.1021/om000266e
• 作为产物：
  描述：

  [(η5-indenyl)(η2-dihydrogen)(((C6H5)2P)2CH2)ruthenium]CF3SO3 以 氘代四氢呋喃 为溶剂， 生成 [(η6-indene)(hydrido)(((C6H5)2P)2CH2)ruthenium]CF3SO3
  参考文献：
  名称：

  Protonation of η⁵-Indenyl Ruthenium Hydride Complexes (η⁵-C₉H₇)Ru(L₂)H and η⁵−η⁶ Haptotropic Rearrangement. X-ray Crystal Structures of (η⁵-C₉H₇)Ru(dppm)H and [(η⁶-C₉H₈)Ru(dppp)H]⁺

  摘要：

  Protonation of indenyl complexes (eta(5)-C9H7)Ru(dppm)H and (eta(5)-C9H7)Ru(PPh3)(2)H with CF3-SO3H or HBF4. Et2O at -60 degrees C gives the eta(2)-dihydrogen complex [(eta(5)-C9H7)Ru(dppm)(H-2)](+) and the dihydride [(eta(5)-C9H7)Ru(PPh3)(2)H-2](+), respectively. Upon warming to room temperature, proton shift from the eta(2)-H-2 ligand of the former to the indenyl ligand and subsequent migration of the metal fragment from the five-membered ring to the six-membered ring of the indene Ligand results in the formation of the eta(6)-indene complex [(eta(6)-C9H8)Ru(dppm)H](+). The PPh3 analogue[(eta(6)-C9H8)Ru(PPh3)(2)H](+) is formed in a similar fashion, but in this case, the proton shift is from Ru-H to the indenyl ligand. Low-temperature acidification of (eta(5)-C9H7)Ru(dppe)H and (eta(5)-C9H7)Ru(dppp)H yield mixtures of eta(2)-dihydrogen complex and dihydride in both cases. Similar to the dppm and PPh3 analogues, eta(6)-indene complexes [(eta(6)-C9H8)Ru(dppe)H](+) and [(eta(6)-C9H8)Ru(dppp)H](+) are generated upon warming solutions of the eta(2)-dihydrogen complex/dihydride mixtures to room temperature. In the dppp system, the eta(5) --> eta(6) haptotropic rearrangement only occurs after the eta(2)-dihydrogen complex --> dihydride tautomerization is nearly completed, whereas in the dppe system the two processes seem to occur simultaneously. The parent hydride complexes (eta(5)-C9H7)Ru(L-2)H can be regenerated upon deprotonation of the eta(6)-indene complexes with Et3N. Crystal structures of (eta(5)-C9H7)-Ru(dppm)H and [(eta(6)-C9H8)Ru(dppp)H](+) have been determined by X-ray crystallography; both complexes have three-legged piano-stool structures.

  DOI：

  10.1021/om000266e