(hydrotris(1-pyrazolyl)borato)trichlorozirconium(IV) | 84695-19-2

• 英文名称: (hydrotris(1-pyrazolyl)borato)trichlorozirconium(IV)
• 英文别名: [(trispyrazolylborato)ZrCl3]；TpZrCl3
• CAS: 84695-19-2
• 化学式: C₉H₁₀BCl₃N₆Zr
• 分子量: 410.613
• InChiKey: VTSNADQXZRTANM-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  (hydrotris(1-pyrazolyl)borato)trichlorozirconium(IV) 、 lithium dimethylamide 以 not given 为溶剂， 以0%的产率得到[(tris(pyrazolyl)borate)Zr(dimethylamide)3]
  参考文献：
  名称：

  Synthesis, Characterization, and Theoretical Studies of Group 4 Amido Hydrotris(pyrazolyl)borate Complexes

  摘要：

  Titanium and zirconium amido complexes containing a hydrotris(pyrazolyl)borate (Tp) or hydrotris(3,5-dimethylpyrazolyl)borate (Tp*) ligand TpM(NMe2)(3) (M = Ti, 1; M = Zr, 2) and Tp*M(NMe2)(3) (M = Ti, 3; M = Zr, 4) were prepared by the reactions of M(NMe2)(3)Cl (M = Ti, Zr) with sodium hydridotris(pyrazol-1-yl)borate and potassium hydridotris(3,5-dimethylpyrazol-1-yl)borate, respectively. The structures of 1, 2, and 4.CH2Cl2 were determined by X-ray diffraction and show octahedral coordination geometry around the metal centers. Density functional theory calculations at the B3PW91 level were performed to understand the orientations and the rotational behavior of amido ligands in these metal complexes.

  DOI：

  10.1021/ic026063v
• 作为产物：
  描述：

  氯化锆(IV) 、 sodium trispyrazolylborate 以 乙醚 、 二氯甲烷 为溶剂， 以95%的产率得到(hydrotris(1-pyrazolyl)borato)trichlorozirconium(IV)
  参考文献：
  名称：

  Reger, Daniel L.; Tarquini, Michael E., Inorganic Chemistry, 1983, vol. 22, # 7, p. 1064 - 1068

  摘要：

  DOI：

文献信息

• Sekundäre Hydroxyalkylphosphane: Synthese und Charakterisierung mono-, bis- und trisalkoxyphosphan-substituierter Zirconiumkomplexe und des heterobimetallischen Dreikernkomplexes [Cp2Zr{O(CH2)3PHMes(AuCl)}2]
  作者：Anke Sterzik、Peter Lönnecke、Evamarie Hey-Hawkins

  DOI：10.1002/zaac.200500276

  日期：2005.9

  formaldehyde (1, 2) or from LiPHR and cyclohexene oxide (3) or trimethylene oxide (4-8). Starting from 5 or 7 and [CpR2ZrMe2] [CpR = C5EtMe4 (Cp°), C5H5 (Cp), C5MeH4 (Cp′)], the monoalkoxyphosphane-substituted zirconocene complexes [CpR2Zr(Me)O(CH2)3PHMes}] [CpR = Cp° (9), Cp (10)] were prepared. With [CpR2ZrCl2], the bisalkoxyphosphane-substituted complexes [Cp′2ZrO(CH2)3PHMes}2] (11) and [Cp2ZrO(CH2)3PHCy}2]

  仲羟烷基膦：单、双和三烷氧基膦取代的锆配合物和杂双金属三核配合物的合成和表征 [Cp2ZrO(CH2)3PHMes(AuCl)}2] 仲羟烷基膦 RPH OH [R = 2,4,6- Me3C6H2 (Mes) (1), 2,4,6-iPr3C6H2 (Tipp) (2)], 1-AdPH-2-OH-环-C6H10 (3) 和 RPH( )3OH [R = Ph (4) , Mes (5), Tipp (6), Cy (7), tBu (8)] 是从初级磷烷 RPH2 和甲醛 (1, 2) 或从 LiPHR 和环己烯氧化物 (3) 或三亚甲基氧化物 (4-8 ）。从 5 或 7 和 [CpR2ZrMe2] [CpR = C5EtMe4 (Cp°), C5H5 (Cp), C5MeH4 (Cp')] 开始，单烷氧基膦取代的锆茂配合物 [CpR2Zr(Me)O( )3PHMes}]