[MoCl(CO)(Ph2PCH2CH2PPh2)(cyclopentadienyl)]PF6 | 176507-40-7

• 英文名称: [MoCl(CO)(Ph2PCH2CH2PPh2)(cyclopentadienyl)]PF6
• CAS: 176507-40-7
• 化学式: C₃₂H₂₉ClMoOP₂*F₆P
• 分子量: 767.886
• InChiKey: IGWBJIDOTGZYJG-UHFFFAOYSA-M

反应信息

• 作为产物：
  描述：

  ferrocenium hexafluorophosphate 、 (η(5)-C5H5)Mo(1,2-bis(diphenylphosphino)ethane)(CO)Cl 以 二氯甲烷 为溶剂， 生成 [MoCl(CO)(Ph2PCH2CH2PPh2)(cyclopentadienyl)]PF6
  参考文献：
  名称：

  Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C≡CR)(CO)(L₂)Cp′]ⁿ⁺ (n = 0 or 1; R = Ph or C₆H₄-4-Me, L₂ = Ph₂PCH₂CH₂PPh₂ or 2PMe₃, Cp′ = Cp or Cp*)

  摘要：

  Two series of bis-phosphine-substituted cyclopentadienyl molybdenum alkynyl complexes, [Mo (C CR)(CO)(dppe)Cp'] and trans-[Mo(C CR)(CO)(PMe3)(2)Cp'] (R = Ph or C6H4-4-Me, dppe = Ph2PCH2CH2PPh2, Cp' = Cp or Cp*), have been prepared and structurally characterized. One-electron oxidation to the 17-electron radical cations has been investigated by cyclic voltammetry and, for selected Cp* derivatives, by spectroelectrochemical IR and UV-visible methods. Through a combination of experimental measurements (IR and EPR spectroscopy) and DFT-based calculations some important differences between the two series of complexes [Mo(C CR)(CO)(dppe)Cp'] and trans-[Mo(C CR)(CO)(PMe3)(2)Cp'] have been established. In particular, the change in molecular geometry leads to enhanced alkynyl character in the HOMO of [Mo(C CR)(CO)(dppe)Cp'] when compared with the largely metal-centered HOMO of trans-[Mo(C CR)(CO)(PMe3)(2)Cp'].

  DOI：

  10.1021/om200229c