[Cp2Mo(Bi(OSiMe2(t)Bu)2] | 1093373-33-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [Cp2Mo(Bi(OSiMe2(t)Bu)2]
• CAS: 1093373-33-1
• 化学式: C₃₄H₇₀Bi₂MoO₄Si₄
• 分子量: 1169.17
• InChiKey: YAWAYFDZKSGUMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.45
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  bis(η5-cyclopentadinyl)dihydridomolybdenum 、 Bismuth;tert-butyl-dimethyl-oxidosilane 以 正己烷 为溶剂， 以62%的产率得到[Cp2Mo(Bi(OSiMe2(t)Bu)2]
  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