[(C5Me4SiMe3)Lu(μ3-O)]4 | 902492-96-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [(C5Me4SiMe3)Lu(μ3-O)]4
• 英文别名: lutetium(3+);oxygen(2-);trimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane;trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• CAS: 902492-96-0
• 化学式: C₄₈H₈₄Lu₄O₄Si₄
• 分子量: 1537.4
• InChiKey: SJVVJBUDCFXZDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.26
• 重原子数：
  60
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [Cp′Lu(μ3-CH2)]4 、 苯甲醛 以 氘代苯 为溶剂， 生成 [(C5Me4SiMe3)Lu(μ3-O)]4
  参考文献：
  名称：

  Ln₄(CH₂)₄Cubane-Type Rare-Earth Methylidene Complexes Consisting of “(C₅Me₄SiMe₃)LnCH₂” Units (Ln = Tm, Lu)

  摘要：

  Tetranuclear cubane-type rare-earth methylidene complexes consisting of four "Cp'LnCH(2)" units, [Cp'Ln(mu(3)-CH2)](4) (4-Ln; Ln = Tm, Lu; Cp' = C5Me4SiMe3), have been obtained for the first time through CH4 elimination from the well-defined polymethyl complexes [Cp'Ln(mu(2)-CH3)(2)](3) (2-Ln) or mixed methyl/methylidene precursors such as [Cp'(3)Ln(3)(mu(2)-Me)(3)(mu(3)-Me)(mu(3)-CH2)] (3-Ln). The reaction of the methylidene complex 4-Lu with benzophenone leads to C=O bond cleavage and C=C bond formation to give the cubane-type oxo complex [Cp'Lu(mu(3)-O)](4) and CH2=CPh2, while the methyl/methylidene complex 3-Tm undergoes sequential methylidene addition to the C=O group and ortho C-H activation of the two phenyl groups of benzophenone to afford the bis(benzo-1,2-diyl)ethoxy-chelated trinuclear complex [Cp'Tm-3(3)(mu(2)-Me)(3){(C6H4)(2)C(O)Me}] (6-Tm).

  DOI：

  10.1021/ja200540b

文献信息

• Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters
  作者：Takanori Shima、Zhaomin Hou

  DOI：10.1021/ja062348l

  日期：2006.6.1

  The reaction of the tetranuclear rare earth metal polyhydrido complexes Cp'Ln(mu-H)2}4(THF) (Cp' = C5Me4SiMe3, Ln = Y (1a), Lu (1b)) with carbon monoxide (1 atm) yielded ethylene and the corresponding tetraoxo cubane complexes (Cp'Ln)4(mu3-O)4 (Ln = Y (5a), Lu (5b)). Stepwise formation of some key reaction intermediates, such as oxymethylene complexes (Cp'Ln)4(mu-OCH2)(mu-H)6(THF) (Ln = Y (2a), Lu

  四核稀土金属多氢配合物 Cp'Ln(mu-H)2}4(THF) (Cp' = C5Me4SiMe3, Ln = Y (1a), Lu (1b)) 与一氧化碳 (1 atm) 的反应产生了乙烯和相应的四氧立方烷络合物 (Cp'Ln)4(mu3-O)4 (Ln = Y (5a), Lu (5b))。逐步形成一些关键反应中间体，例如甲醛配合物 (Cp'Ln)4(mu-O )(mu-H)6(THF) (Ln = Y (2a), Lu (2b))、烯醇化物 (Cp) 'Y)4(OCH=CH2)(mu-O)(mu-H)5(THF) (3), 和二氧杂络合物 (Cp'Y)4(mu3-O)2(mu-H)4(THF) ) (4)，得到证实。2a、4 和 5b 的分子结构由 X 射线衍射研究确定。