| 376353-06-9

• CAS: 376353-06-9
• 化学式: C₂₄H₁₈NbO₂
• 分子量: 431.312
• InChiKey: JEFUKTAXSKITGJ-UHFFFAOYSA-L

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：

  (π-C5H5)2Nb(σ-C5H5)2 、 9,10-菲氢醌 以 甲苯 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and reactivity of tetracyclopentadienylniobium(IV), a precursor to organometallic derivatives of niobium(IV)

  摘要：

  In toluene as medium, tetra(cyclopentadienyl)niobium(IV), NbC4, has been prepared in satisfactory yields from the reaction of NaCp with: (a) Nb2Cl10, (b) NbCl4(THF)(2), or (c) NbCp2Cl2. Tetracyclopentadienylniobium(IV) has been characterized by X-ray diffraction. Crystal data: C20H20Nb, M=353.29 g mol(-1), hexagonal, space group P6(5) (no. 170), a=b=9.396(2), c = 31.23(3) Angstrom, V = 2388(2) Angstrom (3), Z = 6, d(calc) = 1.48 g cm(-3), lambda (Cu-K-alpha) = 1.54184 Angstrom, T = 291 K, mu = 62.04 cm(-1), F(000) = 1686. Two of the four cyclopentadienyl ligands are bonded to niobium. in a pentahapto fashion, the other two being monohapto. NbCp4 undergoes cyclopentadiene elimination in the presence of species containing active protons such as Ph3SiOH or strong acids, the products being tris- or biscyclopentadienyl compounds depending on the molar ratio of the reagents. (C) 2001 Elsevier Science BN. AM rights reserved.

  DOI：

  10.1016/s0022-328x(01)01014-2