(η(5)-C5Me5)Fe(η(5)-P5)(1+) | 225226-92-6

• 英文名称: (η(5)-C5Me5)Fe(η(5)-P5)(1+)
• 英文别名: [Cp*Fe(η⁵-P₅)]；[(η5-C5Me5)Fe(pentaphosphacyclopentadienyl)](1+)
• CAS: 225226-92-6
• 化学式: C₁₀H₁₅FeP₅
• 分子量: 345.945
• InChiKey: JPOJBJRHMPOBCS-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  (η(5)-C5Me5)Fe(η(5)-P5)(1+) 、 1,3-双(2,6-二异丙基苯基)咪唑-2-烯 以 甲苯 为溶剂， 反应 1.0h， 以48%的产率得到[Cp*Fe(η⁴-P₅IDipp)]
  参考文献：
  名称：

  NHC作为多磷配合物的中性供体。

  摘要：

  据报道，NHC（= N-杂环卡宾）与芳族多磷配合物的首批加合物。的反应中的[Cp *的Fe（η 5 -P 5）]（1）（CP * =五甲基环戊二烯基）与IME（= 1,3,4,5- tetramethylimidazolin -2-亚基），IMES（= 1， 3-双（2,4,6-三甲基苯基）-咪唑啉-2-亚基）和IDipp（= 1,3-双（2,6-二异丙基苯基）-咪唑啉-2-亚基）导致相应的中性加合物处于固态状态。然而，在溶液中，它们迅速在加合物和包括相应的NHC的1之间经历解离平衡。平衡受NHC体积的影响。[Cp''Ta（CO）2（η 4 -P 4）]（CP''= 1,3-二叔丁基环戊二烯基）在P原子抽象下与IMe反应生成前所未有的含环P 3的阴离子钽络合物。DFT计算揭示了反应途径的能量学。

  DOI：

  10.1002/chem.202003393
• 作为产物：
  描述：

  [Cp*Fe(η5-P5)] 、 TBPA+PF6- 以 二氯甲烷 为溶剂， 生成 (η(5)-C5Me5)Fe(η(5)-P5)(1+)
  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

文献信息

• The Missing Parent Compound [(C ₅ H ₅ )Fe(η ⁵ ‐P ₅ )]: Synthesis, Characterization, Coordination Behavior and Encapsulation
  作者：Claudia Heinl、Eugenia Peresypkina、Gábor Balázs、Eric Mädl、Alexander V. Virovets、Manfred Scheer

  DOI：10.1002/chem.202100203

  日期：2021.5.12

  )}Cu2(μ‐X)2]n (2 a: X=Cl, 2 b: X=Br) and [CpFe(η5:1:1‐P5)}Cu(μ‐I)]n (3) and even the first cyclo‐P5‐containing 3D coordination polymer [CpFe(η5:1:1‐P5)}Cu(μ‐I)]n (4). The sandwich complex 1 b can also be incorporated in nano‐sized supramolecules based on [Cp*Fe(η5‐P5)] (1 a) and CuX (X=Cl, Br, I): [CpFe(η5‐P5)]@[Cp*Fe(η5‐P5)}12(CuX)20‐n] (5 a: X=Cl, n=2.4; 5 b: X=Br, n=2.4; 5 c: X=I, n=0.95). Thereby

  迄今为止缺失的五磷杂二茂铁大家族的母体化合物 [CpFe(η 5 ‐P 5 )] ( 1 b ) 是通过使用极高沸点溶剂热解 [CpFe(CO) 2 ] 2与 P 4合成的二异丙苯。它通过核磁共振波谱、单晶 X 射线结构分析、循环伏安法和 DFT 计算等进行了全面表征。此外，还探讨了其对 Cu I卤化物的配位行为，揭示了前所未有的二维聚合物网络 [CpFe(η 5:1:1:1:1 ‐P 5 )}Cu 2 (μ‐X) 2 ] n ( 2 a : X=Cl, 2 b : X=Br) 和 [CpFe(η 5:1:1 ‐P 5 )}Cu(μ‐I)] n ( 3 ) 甚至第一个含环‐P 5的 3D配位聚合物[CpFe(η 5:1:1 ‐P 5 )}Cu(μ‐I)] n ( 4 )。夹心配合物 1 b也可以纳入基于 [Cp*Fe(η 5 ‐P 5 )] ( 1 a ) 和 CuX (X=Cl, Br