Ti(η(6)-fluorene)2 | 202463-72-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: Ti(η(6)-fluorene)2
• 英文别名: 9H-fluorene;titanium
• CAS: 202463-72-7
• 化学式: C₂₆H₂₀Ti
• 分子量: 380.325
• InChiKey: XIFJVQPIOZONDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  四氢化物钛 、 芴 以 neat (no solvent) 为溶剂， 以24.3%的产率得到Ti(η(6)-fluorene)2
  参考文献：
  名称：

  Synthesis and characterisation of Ti, Cr, Mo and W bis(fluorene) complexes

  摘要：

  The new eta(6)-bisfluorene complexes of Ti, Cr, Mo, and W were prepared using the Metal Vapour Synthesis (MVS) technique and characterised by spectroscopic methods. The reactivity displayed by fluorene using MVS is different than for other ligands with acidic hydrogens: cyclopentadiene produces the same eta(5) complexes that can be obtained by more conventional synthesis, while indene (where acidic hydrogens coexist with an aromatic ring) originates both eta(5) or/and eta(6) complexes, sometimes as an isomeric mixture (Mo and W). In the present case of fluorene, only eta(6) complexes were isolated by MVS. In order to explain this reactivity the stability of Mo and W eta(5) and eta(6) metal complexes with fluorene, indene and cyclopentadiene is interpreted using Molecular Orbital Calculations by determining the corresponding Overlap Populations. These calculations are also used to explain the chemical shifts observed in the H-1 NMR spectra of the bisfluorene complexes of group 6 metals in terms of p(2) electronic density. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00423-3