| 83143-68-4

• 分子结构分类: 有机化合物 - 乙炔化物
• CAS: 83143-68-4
• 化学式: C₁₂H₁₈Yb
• 分子量: 335.315
• InChiKey: FNMVRAULUXYPFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 五苯基环戊二烯 以 甲苯 为溶剂， 生成 [deca-phenyl ytterbocene]
  参考文献：
  名称：

  Accessing Decaphenylmetallocenes of Ytterbium, Calcium, and Barium by Desolvation of Solvent-Separated Ion Pairs: Overcoming Adverse Solubility Properties

  摘要：

  The redox-transmetalation ligand-exchange reaction of ytterbium or calcium metal with 2 equiv of pentaphenylcyclopentadiene (C5Ph5H) and 1 equiv of HgPh2 in thf afforded the solvent-separated ion pairs (SSIPs) [M(thf)(6)][C5Ph5](2) (M = Yb, Ca), which were characterized by single-crystal X-ray analyses. Addition of toluene to the isolated SSIPs led to the precipitation of the homoleptic sandwich complexes [M(C5Ph5)(2)] (M = Yb, Ca). In the reaction of barium metal with C5Ph5H and HgPh2 the corresponding SSIP was observed in situ, and only the sandwich complex [Ba(C5Ph5)(2)] could be isolated. Single-crystal X-ray analyses were carried out for [M(C5Ph5)(2)] (M = Yb, Ba), which confirmed the highly symmetric structure of these complexes with two parallel cyclopentadienyl ligands. Oxidation and metal-ligand exchange reactions were investigated for the divalent ytterbium complexes.

  DOI：

  10.1021/om800501z