Rh2(acetato)3[(C6H4)P(C6H5)2](H2O)2 | 138459-69-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Rh2(acetato)3[(C6H4)P(C6H5)2](H2O)2
• CAS: 138459-69-5
• 化学式: C₂₄H₂₇O₈PRh₂
• 分子量: 680.258
• InChiKey: FJUAUDNXZISQCV-UHFFFAOYSA-K

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：

  Rh2(acetato)3[(C6H4)P(C6H5)2](H2O)2 在 P(C₆H₅)3 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Lahuerta, Pascual; Payá, Jorge; Pellinghelli, Maria Angela, Inorganic Chemistry, 1992, vol. 31, # 7, p. 1224 - 1232

  摘要：

  DOI：
• 作为产物：
  描述：

  在 water 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 以97%的产率得到Rh2(acetato)3[(C6H4)P(C6H5)2](H2O)2
  参考文献：
  名称：

  Lahuerta, Pascual; Payá, Jorge; Pellinghelli, Maria Angela, Inorganic Chemistry, 1992, vol. 31, # 7, p. 1224 - 1232

  摘要：

  DOI：

文献信息

• Photochemical ligand rearrangement in dirhodium(II) compounds. Structure of Rh2(O2CCH3)2(η2-O2CCH3)[(C6H4)PPh2] (η2-PCCl)(PCClP-ClC6H4)Ph2
  作者：Abel Garcia-Bernabé、Pascual Lahuerta、M.Angeles Ubeda、Santiago García-Granda、Pilar Pertierra

  DOI：10.1016/0020-1693(94)04246-r

  日期：1995.2

  Abstract The photochemical reaction of the adducts Rh2(O2CCH3)3[(C6H4)P(o-ClC6H4)Ph]· (P(p-XC6H4)3) (X=H, Me, Cl), yield the compounds Rh2(O2CCH3)2(η2-O2CCH3)[(p-XC6H3)P (p-XC6H4)2](η2-PCCl), (PCCl=P(o-ClC6H4)Ph2) in a ligand rearrangement reaction that involves activation of CH and RhC bonds. The factors that favour this process are studied by carrying out photochemical reactions with different

  摘要加合物Rh2（O2CCH3）3 [（C6H4）P（o-Cl ）Ph]·（P（p-X ）3）（X = H，Me，Cl）的光化学反应，生成化合物Rh2（O2CCH3 ）2（η2-O2CCH3）[（p-XC6H3）P（p-X ）2]（η2-PCCl），（P​​CCl = P（o-Cl ）Ph2）在涉及CH活化的配体重排反应中和RhC键 通过与不同的膦进行光化学反应来研究有利于该过程的因素。Rh2（O2CCH3）2（η2-O2CCH3）[（ ）PPh2]（η2-PCCl）的结构已通过X射线衍射确定。Mr = 1321.1，正交，空间群Pbcn，a = 20.339（8），b = 20.07（6），c = 23.07（3）A，V = 9413（3）A 3，Z = 8，D x = 1.86 g厘米-3。MoKα辐射（石墨晶体单色仪，λ= 0.071073 A），μ（MoKα）=
• Determination of Equilibrium Constants and Computational Interaction Energies for Adducts of [Rh₂(RCO₂)_4-n(PC)<i>_n</i>] (<i>n</i> = 0−2) with Lewis Bases
  作者：Pipsa Hirva、Julio Esteban、Julio Lloret、Pascual Lahuerta、Julia Pérez-Prieto

  DOI：10.1021/ic062171w

  日期：2007.4.1

  Properties of dirhodium catalysts with cyclometalated aryl phosphine ligands have been studied. We report here the study of the acid-base reaction of Rh-2(RCO2)(2)(PC)(2)(H2O)(2) catalysts (PC = cyclometalated aryl phosphine) with different Lewis bases. The determination of the equilibrium constants of these reactions can be used to study to which extent the properties of the axial coordination site of the catalyst, considered the active site, are affected by modification of the metalated phosphines, the carboxylate ligands, or the incoming axial ligand. The trends in the computational density functional theory interaction energies show good agreement with the major trends in the equilibrium constants, thus enabling a further study of the influence of the modification of the ligand core.