[Ru2(CO)4(μ-H)(μ-P(t-Bu)2)(μ-di(phenylphosphino)methane)(trans-μ-η2-ONNO)] | 671773-85-6

• 英文名称: [Ru2(CO)4(μ-H)(μ-P(t-Bu)2)(μ-di(phenylphosphino)methane)(trans-μ-η2-ONNO)]
• 英文别名: [Ru2(CO)4(μ-H)(μ-P(t-Bu)2)(μ-dppm)(μ-η2-ONNO)]
• CAS: 671773-85-6
• 化学式: C₃₇H₄₁N₂O₆P₃Ru₂
• 分子量: 904.804
• InChiKey: CBGRWCLHDDACFO-UHFFFAOYSA-L

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：

  [Ru2(CO)4(μ-H)(μ-P(t-Bu)2)(μ-di(phenylphosphino)methane)(trans-μ-η2-ONNO)] 以 二氯甲烷 为溶剂， 以0%的产率得到Ru2(CO)4(μ-H)(.mu-P(t)Bu2)(μ-diphenylphosphinomethane)
  参考文献：
  名称：

  Reductive Dimerization of Nitric Oxide to trans-Hyponitrite in the Coordination Sphere of a Dinuclear Ruthenium Complex

  摘要：

  During the reaction of the coordinatively unsaturated compound [Ru-2(CO)(4)(mu-H)(mu-PBu2t)(mu-dppm)] (1; dppm = Ph2PCH2PPh2) with nitric oxide, the latter dimerizes and yields the unusual trans-hyponitrite complex [Ru-2(CO)(4)(mu-H)(mu-PBu2t)(mu-dppm)(mu-eta(2)-ONNO)] (2). The molecular structure of 2 has been determined by X-ray diffraction and is discussed together with the results of DFT calculations. The compound stands out by having only one of the two hyponitrite NO units bonded to Ru. The second one is not connected to Ru but in the solid state exhibits a weak intramolecular bond to the carbon atom of a neighboring carbonyl group.

  DOI：

  10.1021/om030618s
• 作为产物：
  描述：

  [Ru2(CO)4(μ-H)(μ-PBu(t)2)(μ-dppm)(μ-η2-ONNOH)][BF4] 在 DBU 作用下， 以 四氢呋喃 为溶剂， 生成 [Ru2(CO)4(μ-H)(μ-P(t-Bu)2)(μ-di(phenylphosphino)methane)(trans-μ-η2-ONNO)]
  参考文献：
  名称：

  Reaction Properties of the trans-Hyponitrite Complex [Ru₂(CO)₄(μ-H)(μ-PBu^t₂)(μ-Ph₂PCH₂PPh₂)(μ-η²-ONNO)]

  摘要：

  The protonation of [Ru-2(CO)(4)(mu-H)(mu-PBu2t)(mu-dppm)(mu-eta(2)-ONNO)] (1) with HBF4 occurs at the oxygen of the noncoordinating side of the trans-hyponitrite ligand to give [Ru-2(CO)(4)(mu-H)(mu-PBu2t)(mu-dppm)(mu-eta(2)-ONNOH)][BF4] (2) in good yield. The monoprotonated hyponitrite in 2 is deprotonated easily by strong bases to regenerate 1. Furthermore, 1 reacts with the methylating reagent [Me3O][BF4] to afford [Ru-2(CO)(4)(mu-H)(mu-PBu2t)(mu-dppm)(mu-eta(2)-ONNOMe)][BF4] (3). The molecular structures of 2 and 3 have been determined crystallographically, and the structure of 2 is discussed with the results of the DFT/B3LYP calculations on the model complex [Ru-2(CO)(4)(mu-H)(mu-PH2)(mu-H2PCH2PH2) (mu-eta(2)-ONNOH)](+) (2a). Moreover, the thermolysis of 2 in ethanol affords [Ru-2(CO)(4)(mu-H)(mu-OH)(mu-PBu2t)(mu-dppm)][BF4] (4) in high yield, and the deprotonation of 4 by DBU in THF yields the novel complex [Ru-2(CO)(4)(mu-OH)(mu-PBu2t)(mu-dppm)] (5).

  DOI：

  10.1021/ic0496424

文献信息

• Hyponitrite complexes: Crystal and molecular structure of [Ru2(CO)4(μ-PtBu2)(μ-Ph2PCH2PPh2)(μ-η2-ONNOMe)]
  作者：Hans-Christian Böttcher、Peter Mayer

  DOI：10.1016/j.ica.2009.11.008

  日期：2010.3

  The new trans-hyponitrite derivative complex [Ru-2(CO)(4)(mu-(PBu2)-Bu-t)(mu-dppm)(mu-eta(2)-ONNOMe)] (2, dppm = Ph2PCH2PPh2) was prepared by deprotonation of [Ru-2(CO)(4)(mu-H)(mu-(PBu2)-Bu-t)(mu-dppm)(mu-eta(2)-ONNOMe)][BF4] (1) with the base DBU (1.8-diazabicyclo[5.4.0] undec-7-ene). The latter complex salt has been obtained in an improved synthesis starting from the trans-hyponitrite complex [Ru-2(CO)(4)(mu-H)(mu-(PBu2)-Bu-t)(mu-dppm)(mu-eta(2)-ONNO)]. Compound 2 has been characterized by spectroscopic methods as well as by X-ray diffraction and represents the first neutral complex bearing a deprotonated monoester of the hyponitrous acid as the bridging ligand. (C) 2009 Elsevier B. V. All rights reserved.