[(η5-pentaethylcyclopentadienyl)MoH4(1,2-(diphenylphosphino)ethane)][BF4] | 287411-89-6

• 英文名称: [(η5-pentaethylcyclopentadienyl)MoH4(1,2-(diphenylphosphino)ethane)][BF4]
• CAS: 287411-89-6
• 化学式: BF₄*C₄₁H₅₃MoP₂
• 分子量: 790.564
• InChiKey: TYBGANKXDOTGPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [(η5-pentaethylcyclopentadienyl)MoH4(1,2-(diphenylphosphino)ethane)][BF4] 、 乙腈 以 乙醚 、 乙腈 为溶剂， 以72%的产率得到[(η5-pentaethylcyclopentadienyl)molybdenum(IV)H2(1,2-(diphenylphosphino)ethane)(acetonitrile)][BF4]
  参考文献：
  名称：

  Protonation and oxidation chemistry of a pentaethylcyclopentadienyl-containing molybdenum(IV) trihydride complex

  摘要：

  Compound (CpMoCl4)-Mo-Et (Cp-Et= eta(5)-C5Et5) (1) can be transformed into (CpMoH3)-Mo-Et(dppe) (2) and (CpMoD3)-Mo-Et(dppe) (2-d(3)) [dppe = 1,2-(diphenylphosphino)ethane] by reaction with LiAlX4 (X = H and D, respectively). The protonation and oxidation studies of these two compounds, in comparison with previously reported studies on (C5Me5) analogs, show important differences that may be attributed to a kinetic stabilization of the products, which is steric in nature. Protonation of 2 with HBF, in acetonitrile affords [(CpMoH4)-Mo-Et(dppe)](+) (3), which only slowly decomposes to [(CpMoH2)-Mo-Et(MeCN)(dppe)](+) (4). Further protonation of the latter affords the monohydride species [Cp*MoH(dppe)(MeCN)(2)](2+) in three different forms, 5-7. Direct protonation of 2 with 2 equiv, of HBF, shows the formation of all of the above compounds, plus a new compound, [(CpMoH3)-Mo-Et(dppe)(MeCN)](2+) (8), to which a classical structure is assigned. The protonation of 2-d(3) indicates reversibility for the proton transfer processes. The oxidation of 2 in MeCN affords [2](+), which decomposes slowly in MeCN to afford a mixture of 4 and 5 as major products. No compound 8, on the other hand, is obtained by oxidation of 2, neither with 1 nor with 2 equiv. of oxidizing agent. Mechanistic schemes that rationalize all these observations are proposed. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00584-8
• 作为产物：
  描述：

  四氟硼酸-二乙醚络合物 、 (η5-pentaethylcyclopentadienyl)molybdenum(IV)H3(1,2-(diphenylphosphino)ethane) 以 乙醚 为溶剂， 以64%的产率得到[(η5-pentaethylcyclopentadienyl)MoH4(1,2-(diphenylphosphino)ethane)][BF4]
  参考文献：
  名称：

  Protonation and oxidation chemistry of a pentaethylcyclopentadienyl-containing molybdenum(IV) trihydride complex

  摘要：

  Compound (CpMoCl4)-Mo-Et (Cp-Et= eta(5)-C5Et5) (1) can be transformed into (CpMoH3)-Mo-Et(dppe) (2) and (CpMoD3)-Mo-Et(dppe) (2-d(3)) [dppe = 1,2-(diphenylphosphino)ethane] by reaction with LiAlX4 (X = H and D, respectively). The protonation and oxidation studies of these two compounds, in comparison with previously reported studies on (C5Me5) analogs, show important differences that may be attributed to a kinetic stabilization of the products, which is steric in nature. Protonation of 2 with HBF, in acetonitrile affords [(CpMoH4)-Mo-Et(dppe)](+) (3), which only slowly decomposes to [(CpMoH2)-Mo-Et(MeCN)(dppe)](+) (4). Further protonation of the latter affords the monohydride species [Cp*MoH(dppe)(MeCN)(2)](2+) in three different forms, 5-7. Direct protonation of 2 with 2 equiv, of HBF, shows the formation of all of the above compounds, plus a new compound, [(CpMoH3)-Mo-Et(dppe)(MeCN)](2+) (8), to which a classical structure is assigned. The protonation of 2-d(3) indicates reversibility for the proton transfer processes. The oxidation of 2 in MeCN affords [2](+), which decomposes slowly in MeCN to afford a mixture of 4 and 5 as major products. No compound 8, on the other hand, is obtained by oxidation of 2, neither with 1 nor with 2 equiv. of oxidizing agent. Mechanistic schemes that rationalize all these observations are proposed. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00584-8