[((η(5)-C5Me5)Fe(η(5)-P5))2](2+) | 225226-93-7

• 英文名称: [((η(5)-C5Me5)Fe(η(5)-P5))2](2+)
• CAS: 225226-93-7
• 化学式: C₂₀H₃₀Fe₂P₁₀
• 分子量: 691.89
• InChiKey: GXMOQKIMKAMZQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [((η(5)-C5Me5)Fe(η(5)-P5))2](2+) 生成 [Cp*Fe(η5-P5)]
  参考文献：
  名称：

  Electron-Transfer Properties of Cp*FeP₅:  Evidence for Dimerization Reactions following both Oxidation and Reduction

  摘要：

  The redox reactions of Cp*Fe(eta(5)-P-5) (1; Cp* = eta(5)-C5Me5) have been characterized in nonaqueous solvents by electrochemical methods. As anticipated by analogy with ferrocene, 1 may be both oxidized and reduced in one-electron processes. Both processes are irreversible by cyclic voltammetry but reversible by bulk electrolysis. In CH2Cl2 complex 1 oxidizes initially to 17-electron 1(+) (E-p,E-a = 0.57 V vs Fc), which rapidly equilibrates to give the dimeric dication [1(2)](2+). An ESR spectrum attributed to 1(+) is consistent with a d(5) iron sandwich complex. A dimerization rate constant for 1(+) of k(D(17)) = 1.4 X 10(4) M-1 s(-1) was determined from cyclic voltammetry (CV) data. The dimeric dication quantitatively re-forms neutral 1 upon rereduction. Complex 1 undergoes reduction (E-1/2 = -2.00 V) to 19-electron 1-, which also appears to dimerize in THF; k(D(19)) = ca. 6 X 10(5) M-1 s(-1).(.) Reoxidation of the diamagnetic dimer [1(2)](2-) regenerates 1. The shifts in potential induced when replacing a cyclopentadienyl ring by a pentaphosphacyclopentadienyl ring, explicable in terms of the weaker electron-donating ability of the latter, are greater for the reductions than the oxidations, implying an increased P-5 character to the LUMO of 1 compared to the HOMO. Possible structures of the dimeric ions are discussed in terms of known structural analogues and previously published molecular orbital descriptions.

  DOI：

  10.1021/om9809724
• 作为产物：
  描述：

  [Cp*Fe(η5-P5)] 生成 (η(5)-C5Me5)Fe(η(5)-P5)(1+) 、 [((η(5)-C5Me5)Fe(η(5)-P5))2](2+)
  参考文献：
  名称：

  Electron-Transfer Properties of Cp*FeP₅:  Evidence for Dimerization Reactions following both Oxidation and Reduction

  摘要：

  The redox reactions of Cp*Fe(eta(5)-P-5) (1; Cp* = eta(5)-C5Me5) have been characterized in nonaqueous solvents by electrochemical methods. As anticipated by analogy with ferrocene, 1 may be both oxidized and reduced in one-electron processes. Both processes are irreversible by cyclic voltammetry but reversible by bulk electrolysis. In CH2Cl2 complex 1 oxidizes initially to 17-electron 1(+) (E-p,E-a = 0.57 V vs Fc), which rapidly equilibrates to give the dimeric dication [1(2)](2+). An ESR spectrum attributed to 1(+) is consistent with a d(5) iron sandwich complex. A dimerization rate constant for 1(+) of k(D(17)) = 1.4 X 10(4) M-1 s(-1) was determined from cyclic voltammetry (CV) data. The dimeric dication quantitatively re-forms neutral 1 upon rereduction. Complex 1 undergoes reduction (E-1/2 = -2.00 V) to 19-electron 1-, which also appears to dimerize in THF; k(D(19)) = ca. 6 X 10(5) M-1 s(-1).(.) Reoxidation of the diamagnetic dimer [1(2)](2-) regenerates 1. The shifts in potential induced when replacing a cyclopentadienyl ring by a pentaphosphacyclopentadienyl ring, explicable in terms of the weaker electron-donating ability of the latter, are greater for the reductions than the oxidations, implying an increased P-5 character to the LUMO of 1 compared to the HOMO. Possible structures of the dimeric ions are discussed in terms of known structural analogues and previously published molecular orbital descriptions.

  DOI：

  10.1021/om9809724