(π-C5H5)2Zr(C6F5-σ)2 | 139478-33-4

• 英文名称: (π-C5H5)2Zr(C6F5-σ)2
• 英文别名: Cp2Zr(C6F5)2
• CAS: 139478-33-4
• 化学式: C₂₂H₁₀F₁₀Zr
• 分子量: 555.529
• InChiKey: GRBJGTSVANFICD-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

• 作为反应物：
  描述：

  (π-C5H5)2Zr(C6F5-σ)2 以 氘代四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Generation of Perfluoropolyphenylene Oligomers via Carbon−Fluorine Bond Activation by Cp₂Zr(C₆F₅)₂:  A Dual Mechanism Involving a Radical Chain and Release of Tetrafluorobenzyne

  摘要：

  The thermal decomposition of Cp2Zr(C6F5)(2) in THF results in the slow formation of Cp2Zr(C6F5)F and tetrafluorobenzyne. The tetrafluorobenzyne is trapped by THF to give several products. The same reaction performed in the presence of durene or furan also results in the formation of Cp2Zr(C6F5)F and the respective Diels-Alder adducts of tetrafluorobenzyne. If Cp2Zr(C6F5)(2) is heated in the presence of C6F6, linear chains of perfluoroarenes are rapidly generated along with Cp2Zr(C6F5)F. The disappearance of Cp2Zr(C6F5)(2) is observed to slow dramatically after 30-80% completion, with the extent of reaction being inversely dependent on the concentration of C6F6. Dual mechanisms involving a rapid radical chain-and a slower tetrafluorobenzyne producing reaction are proposed to account for these observations.

  DOI：

  10.1021/ja991805d
• 作为产物：
  描述：

  二氯二茂锆 、 五氟苯锂 以 not given 为溶剂， 生成 (π-C5H5)2Zr(C6F5-σ)2
  参考文献：
  名称：

  过渡金属的五氟苯基衍生物。第五部分双-（π-环戊二烯基）双-（σ-五氟苯基）锆及相关研究

  摘要：

  用五氟苯基锂处理双-（π-环戊二烯基）二氯化锆可得到（π - C 5 H 5）2 Zr（σ- C6 F 5）2，其化学稳定性比钛类似物（π- C 5 H 5）2 Ti（σ- C6 F 5）2。双（π-环戊二烯基）双（（σ-五氟苯基）锆）易水解，得到（π- C 5 H 5）2 Zr（σ- C6F 5）OH，最后是（π- C 5 H 5）2 Zr（OH）2。

  DOI：

  10.1039/j19660000838

文献信息

• Pentafluorophenyl organometallic compounds of group IV elements
  作者：Christ Tamborski、Edward J. Soloski、Stanley M. Dec

  DOI：10.1016/s0022-328x(00)88796-3

  日期：1965.12

  The synthesis of pentafluorophenyl group IV elements (C6F5)4Si, (C6F6)4Ge (C6F5)4Sn, (C6F5)4Pb, (C5H5)2Ti(C6F5)2 and (C5H5)2Zr(C6F5)2 is reported. The above compounds are prepared through the reaction of the appropriate metal halide and pentafluorophenyllithium. The various pentafluorophenyl derivatives were subjected to the following studies: infrared and vapor phase chromatography analysis, acid

  五氟苯基IV元素（C 6 F 5）4 Si，（C 6 F 6）4 Ge（C 6 F 5）4 Sn，（C 6 F 5）4 Pb，（C 5 H 5）2 Ti的合成（C 6 F 5）2和（C 5 H 5）2 Zr（C 6 F 5）2被报道。上述化合物是通过适当的金属卤化物和五氟苯基锂反应制备的。对各种五氟苯基衍生物进行了以下研究：红外和气相色谱分析，酸和碱水解，热稳定性以及与溴和锂的反应。
• Nonchelated Alkene and Alkyne Complexes of d⁰ Zirconocene Pentafluorophenyl Cations
  作者：Edward J. Stoebenau、Richard F. Jordan

  DOI：10.1021/ja057524p

  日期：2006.7.1

  This paper describes the generation and properties of nonchelated d(0) zirconocene-aryl-alkene and alkyne adducts that are stabilized by the presence of beta-SiMe3 substituents on the substrates and the weak nucleophilicity of the -C6F5 ligand. The cationic complexes [(C5H4R)(2)Zr(C6F5)][B(C6F5)(4)] (4a: R) H, 4b: R) Me) were generated by methide abstraction from (C5H4R)(2)Zr(C6F5) Me by Ph3C+. NMR studies show that 4a,b contain an o-CF center dot center dot center dot Zr dative interaction and probably coordinate a PhCl molecule in PhCl solution. Addition of allyltrimethylsilane (ATMS) to 4a, b in C6D5Cl solution at low temperature produces an equilibrium mixture of (C5H4R)(2)Zr(C6F5)(H2CdCHCH2SiMe3)(+) (7a, b), 4a, b, and free ATMS. Similarly, addition of propargyltrimethylsilane (PTMS) to 4a produces an equilibrium mixture of Cp2Zr(C6F5)( HCtCCH(2)SiMe(3))(+) (8a), 4a, and free PTMS. The NMR data for 7a, b, and 8a are consistent with highly unsymmetrical substrate coordination and substantial polarization of the substrate multiple bond with significant positive charge buildup at C-int and negative charge buildup at C-term. PTMS binds to 4a more strongly than ATMS does. The ATMS adducts undergo nondissociative alkene face exchange ("alkene flipping"), i. e., exchange of the (C5H4R)(2)Zr(C6F5)(+) unit between the two alkene enantiofaces without decomplexation of the alkene, on the NMR time scale.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.4, 1.3.3.8, page 33 - 59
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Zr: Org.Verb., 1.3.2.2, page 26 - 33
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Zr: Org.Verb., 1.3.2.4, page 54 - 58
  作者：

  DOI：——

  日期：——