[Ru3(η6-C6H2Me4)3(μ3-O)(μ2-H)3][BF4] | 649721-84-6

• 英文名称: [Ru3(η6-C6H2Me4)3(μ3-O)(μ2-H)3][BF4]
• 英文别名: [Ru3(η6-C6H2Me4-1,2,4,5)3(μ3-O)H3]BF4
• CAS: 649721-84-6
• 化学式: BF₄*C₃₀H₄₅ORu₃
• 分子量: 811.701
• InChiKey: CHSZILDQRVJOLL-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：
  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：

  氟硼酸钠 、 [Ru(η(6)-durene)(μ-Cl)Cl]2 在 H₂ 、 NaCl 、 H₂O 作用下， 以 水 为溶剂， 以38%的产率得到[Ru3(η6-C6H2Me4)3(μ3-O)(μ2-H)3][BF4]
  参考文献：
  名称：

  Hydrogen activation by arene ruthenium complexes in aqueous solution. Part 2. Build-up of cationic tri- and tetra-nuclear ruthenium clusters with hydrido ligands

  摘要：

  The low-pressure hydrogenation of the hydrolysis mixture of [Ru2(eta6-C6H6)2Cl4] in water (1.5 atm, 20-degrees-C) led, in the presence of NaClO4, to the oxo-capped trinuclear cluster cation [Ru3(eta6-C6H6)3(mu-Cl)(mu3-O)-(mu-H)2]+ 1 which crystallized as the perchlorate salt. The chloro-capped trinuclear cluster cation [Ru3(eta6-C6H2Me-1,2,4,6)3(mu3-Cl)H3]2+ 2, crystallized as the dichloride, was accessible from the durene derivative [Ru2(eta6-C6H2Me-1,2,4,6)2Cl4] by high-pressure hydrogenation (60 atm, 55-degrees-C) in water. In hot aqueous solution, the chloro-capped cluster 2 underwent hydrolysis to give the oxo-capped cluster [Ru3(eta6-C6H2Me4-1,2,4,6)3(mu3-O)H3]+ 3. In the presence of NaBF4, the low-pressure hydrogenation (1.5 atm, 20-degrees-C) of the hydrolysis mixture of [Ru2(eta6-C6H6)2Cl4] led to the tetranuclear tetrahydrido cluster cation [Ru4(eta6-C6H6)4]2+ 4 which precipitated as the tetrafluoroborate salt. Under high-pressure conditions (60 atm, 55-degrees-C) and in the absence of an additional salt, the hexahydrido cluster cation [Ru4(eta6-C6H6)4H6]2+ 5 was formed and obtained as the dichloride. By analogy, the p-cymene derivative [Ru2(eta6-C6H4MePr(i)-p)2Cl4] gave [Ru4(eta6-C6H4MePr(i)-p)4H6]2+ 6. In contact with air, the hexahydrido clusters 5 and 6 were transformed into the corresponding tetrahydrido clusters [Ru4(eta6-C6H6)4H4]2+ 4 and [Ru4(eta6-C6H4MePr(i)-p)4H4]2+ 7. The hexahydrido cluster 5 is capable of hydrogenating fumaric acid to give succinic acid and 4; the latter adds molecular hydrogen to regenerate the hexahydrido species 5. The crystal and molecular structures of the cluster salts [Ru3(eta6-C6H6)3(mu-Cl)(mu3-O)(mu-H)2]ClO4 (cation 1), [Ru3(eta6-C6H2Me4-1,2,4,6)3(mu3-O)H3]BF4 (cation 3), [Ru4(eta6-C6H6)4H4]Cl2 (cation 4) and [Ru4(eta6-C6H4MePr(i)-p)4H6][ClO4]2 (cation 6) have also been determined.

  DOI：

  10.1039/dt9940003215

文献信息

• Suess-Fink, G.; Meister, G.; Haak, S., New Journal of Chemistry, 1997, vol. 21, p. 785 - 790
  作者：Suess-Fink, G.、Meister, G.、Haak, S.、Rheinwald, G.、Evans-Stoeckli, H.

  DOI：——

  日期：——