[Mo(CH3)(CO)3(η-C5HPh4)] | 241481-60-7

• 英文名称: [Mo(CH3)(CO)3(η-C5HPh4)]
• CAS: 241481-60-7
• 化学式: C₃₃H₂₄MoO₃
• 分子量: 564.492
• InChiKey: GNGZQXFREGRHHD-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：

  四氟硼酸-二乙醚络合物 、 [Mo(CH3)(CO)3(η-C5HPh4)] 、 二苯基乙炔 以 二氯甲烷 为溶剂， 以56%的产率得到[Mo(CO)(PhC2Ph)2(η-C5HPh4)][BF4]
  参考文献：
  名称：

  Reduction of [ML(alkyne)₂(η-C₅R‘₅)]⁺ (M = Mo or W, L = MeCN or CO, R‘ = H or Me, C₅R‘₅ = C₅HPh₄):  Characterization of Radical Intermediates in the Reductive Coupling of Coordinated Alkynes

  摘要：

  The complexes [M(NCMe)(RC2R)(2)(eta-C5R5')](+) (M = Mo or W, R = Me or Ph; R' = H or Me, C5R5' = C5HPh4) undergo one-electron reduction to [M(NCMe)(RC2R)(2)(eta-C5R5')], which rapidly lose acetonitrile to give the 17-electron complexes [M(RC2R)(2)(eta-C5R5')]. The stability of [M(RC2R)(2)(eta-C5R5')] depends on R and R'; for R = Ph, the radical is sufficiently stable so that its reduction to the 18-electron anion [M(RC2R)(2)(eta-C5R5')](-) is detected in the cyclic voltammogram. Chemical reduction of [Mo(NCMe)(PhC2Ph)(2)(eta-C5HPh4)](+) with [Co(eta-C5H5)(2)] gives the air-sensitive solid [Mo(PhC2Ph)(2)(eta-C5HPh4)], characterized as an alkyne-based radical by ESR spectroscopy, which gives [Mo(NCMe)(PhC2Ph)(2)(eta-C5HPh4)](+) when treated with [Fe(eta-C5H5)(2)](+) in acetonitrile. The carbonyl cations [M(CO)(RC2R)(2)(eta-C5R5')](+) (M = Mo, Tm) undergo two sequential one-electron reductions, the first of which is reversible and gives the 19-electron species [M(CO)(RC2R)(2)(eta-C5R5')]. The 19-electron radical [Mo(CO)(PhC2Ph)(2)(eta-C5Me5)] has been characterized in solution by IR and ESR spectroscopy.

  DOI：

  10.1021/om990089l