[(η5-Cp)Mo(μ2-η5:η1-C5H4)Bi]2 | 845755-82-0

• 英文名称: [(η5-Cp)Mo(μ2-η5:η1-C5H4)Bi]2
• CAS: 845755-82-0
• 化学式: C₂₀H₁₈Bi₂Mo₂
• 分子量: 868.204
• InChiKey: CXARPIVHHPTNDM-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：

  [(η5-Cp)Mo(μ2-η5:η1-C5H4)Bi]2 、 三苯基硅醇 以 甲苯 为溶剂， 以59%的产率得到[Cp2Mo(μ-BiOSiPh3)2MoCp2]
  参考文献：
  名称：

  Opening of Bent Bi−C Bonds by Silanols To Give Stable Cp₂Mo(μ-BiOR)₂MoCp₂ Complexes

  摘要：

  First, the reactivity of molybdocene dihydride toward bismuth siloxides was studied. Depending on the stoichiometry, compounds of the type [Cp2Mo{Bi(OR)(2)] (R = SiMe2'/Bu, 1, R = SiPh3, 3) or [Cp2Mo(mu-BiOR)(2)MoCp2] (R = SiMe2'Bu, 2(t), R = SiPh3, 4(t)) were obtained. Apart from 4 all of these compounds were characterized via single-crystal X-ray diffraction analyses, which revealed for the compound 2(t) a trans orientation of the two silanolate groups, similar to that found in case of the corresponding tert-butoxide derivatives. In contrast to those, however, the silanolates 2(t) and 4(t) proved to be stable in solution with respect to subsequent intramolecular silanol eliminations, which allowed for detailed NMR spectroscopic investigation. These studies revealed that on dissolution of 2(t) and 4(t), they slowly enter into an equilibrium with isomers containing the two silanolate ligands in a cis configuration, 2(c) and 4(c). However, the cis isomers cannot be isolated from the isomeric mixtures, as the trans isomer always precipitates first. Due to the thermodynamic stability of 2 and 4, these complexes can also be obtained starting from [(eta(5)-Cp)Mo(mu(2)-eta(5):eta(1)-C5H4)Bi](2), which contains bent Bi-C bonds and is formed from the tert-butoxide derivative of 2 and 4, [CP2MO{Bi(O'Bu)}(2), IIH, by further alcohol elimination as the thermodynamically most favored product in that system: Reacting this compound with the silanols HOSiMe2'Bu and HOSiPh3 provides 21 and 4, respectively, which underlines that these complexes represent the thermodynamic holes within these corresponding systems.

  DOI：

  10.1021/om8008662
• 作为产物：
  描述：

  bis(η5-cyclopentadinyl)dihydridomolybdenum 、 [Bi(2-methyl-3-butene-2-ol-H)3] 以 not given 为溶剂， 生成 [(η5-Cp)Mo(μ2-η5:η1-C5H4)Bi]2 、
  参考文献：
  名称：

  Mo4Bi4分子框架，仅由不支持的金属-金属键组成。

  摘要：

  [Cp（2）MoH（2）]与氧化烯丙基铋[Bi {OCH（CH（3））CH == CH（2）}（3）]的反应产生了延伸的八核配合物，其中两个环状Mo （2）由四个Mo-Bi键组成的Bi（2）单元通过Bi-Bi键连接。仅在母体烯丙基残基单甲基化的情况下才能实现这种组装体的构造，这一事实证明了微妙的取代作用。

  DOI：

  10.1039/c1cc14616e