(η5-pentaethylcyclopentadienyl)bis(hydroxido)(1,2-bis(diphenylphosphino)ethane)molybdenum | 265122-93-8

• 英文名称: (η5-pentaethylcyclopentadienyl)bis(hydroxido)(1,2-bis(diphenylphosphino)ethane)molybdenum
• CAS: 265122-93-8
• 化学式: C₄₁H₅₁MoO₂P₂
• 分子量: 733.742
• InChiKey: BFDJPYYFJKKJRH-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

• 作为产物：
  描述：

  (η5-pentaethylcyclopentadienyl)molybdenum(IV)H3(1,2-(diphenylphosphino)ethane) 、 水 在 (C₅H₅)2FeBF₄ 、 triethylamine 作用下， 以 四氢呋喃 为溶剂， 以55%的产率得到(η5-pentaethylcyclopentadienyl)bis(hydroxido)(1,2-bis(diphenylphosphino)ethane)molybdenum
  参考文献：
  名称：

  Preparation and structure of the 17-electron (η5-C5R5)Mo(OH)2(dppe) (R=Me, Et) organometallic compounds containing two gem-terminal hydroxide ligands

  摘要：

  Oxidation of (eta(5)-C5R5)MoH3(dppe) (R = Me, Et) by Cp2Fe+ in wet THF leads to the formation of the corresponding (eta(5)-C5R5)Mo(OH)(2)(dppe). These compounds show a low-potential reversible oxidation wave. The structure of the C5Et5 complex has been confirmed by X-ray diffraction methods: triclinic; space group ; a =11.030(1); b = 12.533(1); c = 16.241 (1) Angstrom; alpha = 68.585(7); beta = 75.197(5); gamma = 83.991(7)degrees; V = 2020.6(3) Angstrom(3); Z = 2; D-calc = 1.324 g cm(-3), mu(Mo-K-alpha) = 0.441 mm(-1); R-1 = 0.0325; wR(2) = 0.0875 for 415 parameters and 6823 independent reflections [R-int = 0.0177] with I = 2 sigma(I). The molecule shows a four-legged piano-stool geometry with two terminal OH ligands in a relative trans configuration. The complex EPR properties indicate that an equilibrium mixture of various species is present in solution. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00539-2