(η(5)-C5H5)Mo(η(6)-C6Ph6)-F-PF5 | 225782-47-8

• 英文名称: (η(5)-C5H5)Mo(η(6)-C6Ph6)-F-PF5
• CAS: 225782-47-8
• 化学式: C₄₇H₃₅F₆MoP
• 分子量: 840.699
• InChiKey: GUMKTKFTLIJDHA-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

• 作为产物：
  描述：

  (η(5)-C5H5)Mo(η(6)-C6Ph6) 、 tert-butylammonium hexafluorophosphate(V) 以 二氯甲烷 为溶剂， 生成 (η(5)-C5H5)Mo(η(6)-C6Ph6)(1+) 、 (η(5)-C5H5)Mo(η(6)-C6Ph6)-F-PF5
  参考文献：
  名称：

  Redox properties of the 17-electron sandwich (η5-C5H5)Mo(η6-C6Ph6): electrochemical characterization of the 16 e− Lewis acid monocation and its PF6− adduct

  摘要：

  Thermolysis of CpMo(CH2C6H5)(eta(2)-PhC2Ph)[P(OMe)(3)] [Cp = (eta(5)-C5H5)] unexpectedly gives the mixed-sandwich 17-electron metallocene CpMo(eta(6)-C6Ph6), 1. The title compound undergoes reversible one-electron oxidation (E-1/2 = - 0.25 V vs. ferrocene) and reduction (E-1/2 = - 2.02 V) reactions which were characterized by voltammetry and coulometry. When the oxidation of 1 is accomplished in CH2Cl2/[Bu4N][PF6] electrolyte, the 16 e(-) Mo(II) complex 1(+) is in equilibrium with a thermodynamically-favored product formulated as the [PF6](-) adduct, 1-FPF5, 3. Adduct 3 remains intact upon further one-electron oxidation to the Mo(III) complex 3(+), but it rapidly releases [PF6](-) when reduced to the Mo(I) species 3(-). Other counterions such as [BF4](-) and [ClO4](-) do not show the same degree of interaction with the 16 e(-) Mo(II) cation. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)01038-9