(η5-C5H5)Fe(η2-Ph2PCH2CH2PPh2)H(1+)PF6(1-) | 139524-38-2

• 英文名称: (η5-C5H5)Fe(η2-Ph2PCH2CH2PPh2)H(1+)PF6(1-)
• 英文别名: Cp*Fe(dppe)H(1+)PF6(1-)
• CAS: 139524-38-2
• 化学式: C₃₆H₄₀FeP₂*F₆P
• 分子量: 735.472
• InChiKey: AHVHIMZDQLGSPM-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  (η5-C5H5)Fe(η2-Ph2PCH2CH2PPh2)H(1+)PF6(1-) 在 CO 作用下， 以 二氯甲烷 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Isolation and characterization of a cationic 19-electron iron(III) hydride complex; electron transfer induced hydride migration by carbon monoxide at an iron(III) centre

  摘要：

  The first hypervalent 19-electron metal hydride complex [Fe(C5Me5)(dppe)(CO)H]PF63, synthesized from the 17-electron iron(III) hydride complex [Fe(C5Me5)(dppe)H]PF62, is isolated and its structure is established by IR, Mössbauer and ESR data; reaction of the iron(III) complex 2 with carbon monoxide causes hydride transfer to the C5Me5 ligand through an electrochemical chemical electrochemical (ECE)-like pathway [dppe = ethylenebis-(diphenylphosphine)].

  DOI：

  10.1039/c39920001602
• 作为产物：
  描述：

  以 二氯甲烷 为溶剂， 生成 (η5-C5H5)Fe(η2-Ph2PCH2CH2PPh2)H(1+)PF6(1-)
  参考文献：
  名称：

  Isolation and characterization of a cationic 19-electron iron(III) hydride complex; electron transfer induced hydride migration by carbon monoxide at an iron(III) centre

  摘要：

  The first hypervalent 19-electron metal hydride complex [Fe(C5Me5)(dppe)(CO)H]PF63, synthesized from the 17-electron iron(III) hydride complex [Fe(C5Me5)(dppe)H]PF62, is isolated and its structure is established by IR, Mössbauer and ESR data; reaction of the iron(III) complex 2 with carbon monoxide causes hydride transfer to the C5Me5 ligand through an electrochemical chemical electrochemical (ECE)-like pathway [dppe = ethylenebis-(diphenylphosphine)].

  DOI：

  10.1039/c39920001602

文献信息

• Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe−X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH₃)
  作者：Mats Tilset、Irene Fjeldahl、Jean-René Hamon、Paul Hamon、Loïc Toupet、Jean-Yves Saillard、Karine Costuas、Anthony Haynes

  DOI：10.1021/ja0106927

  日期：2001.10.1

  its Fe(d(pi))-X(p(pi)) antibonding character, which varies in the order I > Br > Cl > F, but rather depends on the destabilizing electrostatic effect caused by X. This effect varies in the order F > Cl > Br > I. A thermochemical cycle that incorporates the [Fe*]X0/+ and [Fe*]0/+ electrode potentials was used to investigate the effect of the oxidation state of the complex on the homolytic bond dissociation

  化合物 Cp*Fe(dppe)X ([Fe]X) 和相应的阳离子自由基 [Fe*]X*+ 可用于 X = F、Cl、Br、I、H、CH3 系列。这使得可以详细研究 Fe-X 键合的性质对 X 的身份和配合物的氧化态（电荷）的依赖性。循环伏安法表明 [Fe]X0/+ 对的电极电位以 I > Br > Cl > H > F > 的顺序降低。可以看到“反卤化物顺序”，其中最具电负性的 X 导致最容易氧化的络合物。这表明 F 是卤化物中最好的供体。卤化物趋势也反映在核磁共振光谱数据中。穆斯堡尔光谱数据还表明 F 配体是 [Fe*]X*+ 中的强供体（相对于 H 和 ）。CpFe(dpe)X ([Fe]X) 模型复合物的 DFT 计算很好地再现了 [Fe*]X0/+ 对的电极电位趋势。卤素系列中的理论数据分析表明，[Fe]X HOMO 的能量与其 Fe(d(pi))-X(p(pi)) 反键特性的程度无关，其在顺序
• Hamon, Paul; Toupet, Loic; Hamon, Jean-René, Organometallics, 1992, vol. 11, # 4, p. 1429 - 1431
  作者：Hamon, Paul、Toupet, Loic、Hamon, Jean-René、Lapinte, Claude

  DOI：——

  日期：——