tris(pentafluorophenyl)gallium | 147050-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tris(pentafluorophenyl)gallium
• 英文别名: Ga(perfluorophenyl)3
• CAS: 147050-20-2
• 化学式: C₁₈F₁₅Ga
• 分子量: 570.897
• InChiKey: PRRYCPZRJOKSOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  tris(pentafluorophenyl)gallium 、 Cp*₂Sn 以 甲苯 为溶剂， 以74.5%的产率得到(η5-C5(CH3)5)Sn(μ-η5-C5(CH3)5)Sn(η5C5(CH3)5) Ga(C6F5)4
  参考文献：
  名称：

  Triple-decker main group cations

  摘要：

  本文介绍了第一种主族三阶梯阳离子的合成，即[(η5-C5Me5)Sn(μ-η5- C5Me5)Sn(η5-C5Me5 )][Ga(C6F5)4] 和[(η6-C7H8)In(μ-η5-C 5Me5)In(η6-C7H8 )][(C6F5)3BO(H)B(C6F 5)3] ，这两种阳离子都已通过 X 射线晶体学进行了表征；前者是通过 Sn(η5-C5Me5)2 与 Ga(C6F5)3 的反应制备的，而后者则是通过 [In(η5-C5Me5)]6 与 B(C6F5)3 和 H2O-B(C6F5)3 的等摩尔混合物的反应制备的。

  DOI：

  10.1039/b005425i
• 作为产物：
  描述：

  tris-(pentafluoro phenyl) gallane * diethyl ether 在 碘 作用下， 以 甲苯 为溶剂， 以90%的产率得到tris(pentafluorophenyl)gallium
  参考文献：
  名称：

  Synthesis and properties of pentafluorophenylgallium derivatives. The preparation of tris(pentafluorophenyl) gallium and its adducts, and of bis(pentafluorophenyl) gallium bromide, pentafluorophenylgallium dibromide, and tetrabutylammonium tetrakis(pentafluorophenyl)gallate

  摘要：

  A complete series of mono-, bis-, tris- and tetrakis-(pentafluorophenyl)gallium compounds has been obtained from the reactions of GaCl3 and GaBr3 With Mg(C6F5)Br. The complexation behaviour of Ga(C6F5)3 . O(C2H5)2 With N-donor molecules has been studied; 1 : 1 adducts with pyridine, diethylamine, tert/butyl amine and aniline as well as the uncomplexed Ga(C6F5)3 and [(n-C4H9)4N][Ga(C6F5)4] have been obtained pure. All the compounds were characterized by NMR spectroscopy, mass spectrometry and elemental analysis, and some IR spectra were recorded.

  DOI：

  10.1016/0022-328x(92)80167-v

文献信息

• Structures and Stability of Complexes of E(C ₆ F ₅ ) ₃ (E = B, Al, Ga, In) with Acetonitrile
  作者：Nadezhda A. Shcherbina、Anna V. Pomogaeva、Anna S. Lisovenko、Igor V. Kazakov、Nikita Yu. Gugin、Olesya V. Khoroshilova、Yuri V. Kondrat'ev、Alexey Y. Timoshkin

  DOI：10.1002/zaac.202000030

  日期：2020.7.15

  formed by interaction of E(C6F5)3 (E = B, Al, Ga, In) with excess of acetonitrile (AN) were structurally characterized. Quantum chemical computations indicate that for Al(C6F5)3 and In(C6F5)3 the formation of a complex of 1:2 composition is more advantageous than for B(C6F5)3 and Ga(C6F5)3, in line with experimental observations. Formation of the solvate [Al(C6F5)3·2AN]·AN is in agreement with predicted

  在结构上表征了由E（C 6 F 5）3（E = B，Al，Ga，In）与过量乙腈（AN）相互作用形成的配合物。量子化学计算表明，对于Al（C 6 F 5）3和In（C 6 F 5）3，与B（C 6 F 5）3和Ga（C ）形成1：2组成的配合物更有利。6 F 5）3，与实验观察结果一致。形成溶剂化物[Al（C 6 F 5）3 ·2AN] · AN与[Al（C 6 F 5）3 · 3AN]的预测热力学不稳定性相符。B（C 6 F 5）3 · CH 3 CN的拉力法研究表明，它在高达197°C的固态下均具有稳定性。随着温度的升高，配合物经历不可逆的热分解，形成五氟苯。
• (Pentafluorophenyl) group 11 and 12 metal compounds, processes for preparing (pentafluorophenyl) group 11 and 12 metal compounds, and uses thereof
  申请人：——

  公开号：US07585991B2

  公开（公告）日：2009-09-08

  (Pentafluorophenyl) Group 11 and 12 metal compounds and processes for preparing (pentafluorophenyl) Group 11 and 12 metal compounds are disclosed. Also, disclosed are processes for preparing (pentafluorophenyl) Group 13 or 15 metal compounds useful as Lewis acids. Compositions with low levels of base impurities and products produced by the novel processes are also disclosed.

  本发明揭示了(pentafluorophenyl)11和12族金属化合物及其制备过程。还揭示了制备(pentafluorophenyl)13或15族金属化合物作为路易斯酸的方法。本发明还揭示了低基础杂质水平的组合物和由新型方法生产的产品。
• Molecular complexes of non-chelating polydentate Lewis bases with group 13 Lewis acids: crystal structure and computed energy of stepwise donor–acceptor bond formation
  作者：Nadezhda A. Shcherbina、Igor V. Kazakov、Anna S. Lisovenko、Mariya A. Kryukova、Irina S. Krasnova、Michael Bodensteiner、Alexey Y. Timoshkin

  DOI：10.1016/j.mencom.2022.01.024

  日期：2022.1

  theory reveals that with an increase in the number of acceptor molecules in the DA complex, the DA bond distances increase, while the DA bond energies and Wiberg bond indexes decrease, indicating a weaker bonding. The previously reported ‘inverse’ relationship between the Lewis acidity and the capacity of a polydentate donor to complex with multiple Lewis acids is not confirmed.

  E(C 6 F 5 ) 3 (E = B, Al, Ga 和 In) 和吡嗪 (pyz)之间 1:1 和 2:1 组成的五种供体-受体 (DA) 配合物的晶体结构螯合二齿含氮供体，以及 GaI 3 pyz GaI 3首次建立综合体。对实验结构数据和 M06-2X/def2-TZVP 理论水平计算结果的联合分析表明，随着 DA 复合物中受体分子数量的增加，DA 键距离增加，而 DA键能和 Wiberg 键指数下降，表明键合较弱。先前报道的路易斯酸度与多齿供体与多种路易斯酸络合的能力之间的“反向”关系尚未得到证实。