(C5H5)Fe(C5H4C.tplbond.C)Mo(η(7)-C7H7)(Ph2PCH2CH2PPh2)(1+) | 198825-15-9

• 英文名称: (C5H5)Fe(C5H4C.tplbond.C)Mo(η(7)-C7H7)(Ph2PCH2CH2PPh2)(1+)
• 英文别名: [(η-cycloheptatrienyl)Mo(dppe)(CC(ferrocenyl))](1+)
• CAS: 198825-15-9
• 化学式: C₄₅H₄₀FeMoP₂
• 分子量: 794.547
• InChiKey: RCRFSAQZRANJFD-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  [(C5H5)Fe(C5H4C.tplbond.C)Mo(η(7)-C7H7)(Ph2PCH2CH2PPh2)] 在 (CH₃CH₂CH₂CH₂)4NPF₆ 作用下， 以 四氢呋喃 为溶剂， 生成 (C5H5)Fe(C5H4C.tplbond.C)Mo(η(7)-C7H7)(Ph2PCH2CH2PPh2)(1+)
  参考文献：
  名称：

  Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(C≡CR)(Ph₂PCH₂CH₂PPh₂)(η-C₇H₇)]ⁿ⁺(n= 0 or 1; R =^{But, Fc, CO₂Me, or C₆H₄-4-X, X = NH₂, OMe, Me, H, CHO, CO₂Me)}

  摘要：

  A series of molybdenum alkynyl complexes [Mo(C CR)(dppe)(eta-C7H7)] featuring a range of alkynyl substituents R with varying electron-donating and -withdrawing properties have been prepared. Oxidation of representative members of the series to the corresponding 17-electron radical cations has been achieved through both chemical oxidation and in situ spectroelectrochemical methods. The largely metal-centered character of the HOMO in this class of compounds has been established through a combination of experimental measurements (IR, UV-vis-NIR, EPR spectroscopies) and DFT-based calculations and rationalized in terms of the stabilization of the metal d(xy), d(yz), d(xz), and d(x2-y2) through pi- and delta-interactions with the C7H7 ring and concomitant destablization of the d(z2) orbital.

  DOI：

  10.1021/om901074b