| 220499-39-8

• CAS: 220499-39-8
• 化学式: C₂₀H₃₁Cl₂Ta
• 分子量: 523.32
• InChiKey: HROUNRHEPWLNFQ-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：

  盐酸 、 Cp*₂TaH₃ 以 乙醚 、 正戊烷 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Fluoro Complexes of Permethyltantalocene, Cp*₂TaF₃ and [Cp*₂TaF₂][BF₄]:  Facile Formation of a Tetrafluoroborate Complex via Corrosion of Borosilicate Glass

  摘要：

  The trihydride complex Cp*2TaH3 is a convenient precursor to a series of halide derivatives, which include unusual examples of organometallic fluoride complexes. Most interestingly, reaction of Cp*2TaH3 with (C5H5N)(HF)(x) affords the trifluoride complex Cp*2TaF3 when carried out in a plastic vessel, but the tetrafluoroborate complex [Cp*2TaF2][BF4] when performed ina borosilicate glass vessel. In contrast, reaction of Cp*2TaH3 with [Et3N(HF)(3)] results in cleavage of one of the pentamethylcyclopentadienyl ligands to yield the half-sandwich complex [Et3NH][Cp*TaF5]. Cp*2TaF3 and [Cp*2TaF2][BF4] may be readily interconverted. Thus, treatment of Cp*2TaF3 with either Et2O . BF3 or LiBF4 yields [Cp*2TaF2][BF4], while reaction of the latter complex with excess NaF regenerates Cp*2TaF3. Furthermore, Cp*2TaF3 is converted to the cyano fluoride complex Cp*Ta-2(CN)(2)F upon reaction with excess Me3SiCN. Sequential replacement of the hydride ligands of Cp*2TaH3 is observed in the reaction with Mel to give Cp*2TaH2I and Cp-2*TaHI2; likewise, the reactions of Cp*2TaH3 with either HCl, CHCl3, pr CCl4 give Cp*2TaH2Cl and Cp*2TaHCl2. The molecular structures of [Cp*2TaF2][BF4], [Et3NH][Cp*TaF5], and Cp*2TaHCl2 have been determined by X-ray diffraction.

  DOI：

  10.1021/om980549v

文献信息

• A New Tantalum Dinitrogen Complex and a Parahydrogen-Induced Polarization Study of Its Reaction with Hydrogen
  作者：Dawn C. Bregel、Susan M. Oldham、Rene J. Lachicotte、Richard Eisenberg

  DOI：10.1021/ic025578j

  日期：2002.8.1

  containing a micro-eta(1):eta(1) dinitrogen bridge has been characterized by NMR and X-ray crystallography. The complex possesses a C(2)-symmetric structure with each Ta bound to diastereotopic Cp* rings and chloride in addition to the micro-N(2) bridge. The Ta-N and N-N distances of 1.885(10) and 1.23(1) A, respectively, suggest modest reduction of the dinitrogen moiety. The two Cp* resonances on

  在氮气氛下用THF中的汞齐将Cp *（2）TaCl（2）还原导致形成新型络合物（Cp *（2）TaCl）（2）（micro-N（2））。此双核复合物包含一个微eta（1）：eta（1）二氮桥，已通过NMR和X射线晶体学进行了表征。该复合物具有一个C（2）对称结构，每个Ta除微N（2）桥外还与非对映体Cp *环和氯化物结合。Ta-N和NN的距离分别为1.885（10）和1.23（1）A，表明二氮部分的适度还原。每个Ta中心的两个Cp *共振在溶液中甚至在80°C时仍然不等。氢的添加导致二氢化物配合物Cp *（2）TaH（2）Cl的两个异构体的形成。在对氢下 极化的共振观察到不对称异构体与相邻的氢化物作为H（2）氧化加成的产物。Cp *（2）TaH（2）Cl的对称异构体也很可能通过不对称动力学异构体的异构化而形成。将（Cp *（2）TaCl）（2）（micro-N（2））的反应性与相关单体Cp