tris(pentafluorophenyl)bismuth difluoride | 118798-75-7

• 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)bismuth difluoride
• 英文别名: Difluoro-tris(2,3,4,5,6-pentafluorophenyl)bismuth
• CAS: 118798-75-7
• 化学式: C₁₈BiF₁₇
• 分子量: 748.151
• InChiKey: MXNSWVOTCQMFQJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  36
• 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：
  17

反应信息

• 作为反应物：
  描述：

  tris(pentafluorophenyl)bismuth difluoride 、 tris(pentafluorophenyl)bismuth 以 not given 为溶剂， 生成 tris(pentafluorophenyl)bismuthdifluoride * tris(pentafluorophenyl)bismuth adduct
  参考文献：
  名称：

  Schmuck, Arno; Leopold, Dieter; Wallenhauer, Stephan, Chemische Berichte, 1990, vol. 123, # 4, p. 761 - 766

  摘要：

  DOI：
• 作为产物：
  描述：

  五氟苯基溴化镁 以 乙醚 、 乙腈 为溶剂， 生成 tris(pentafluorophenyl)bismuth difluoride
  参考文献：
  名称：

  [(C6F5) 2IF2] [BF4]，具有亲电阳离子的第一种盐 [(C6F5) 2IF2] +：合成、反应性和结构

  摘要：

  C6F5IF4 中高价键合的氟原子被 C6F5BF2 取代，产生了新的盐 [(C6F5) 2IF2] [BF4]。碘鎓 (V) 盐通过多核磁共振和拉曼光谱以及 X 射线晶体结构分析进行表征。新的亲电阳离子 [(C6F5) 2IF2] + 的氟化能力在与单价碘化合物（C6F5I、p-FC6H4I 和 I2）和缺电子的三（有机基）pnictanes ER3（E = P，As , Sb, Bi; R = C6F5)。在 MeCN 中与 CsF 的多相反应中，[(C6F5) 2IF2] + 阳离子形成双核 [{(C6F5) 2IF2} 2F] + 阳离子。

  DOI：

  10.1002/zaac.200700499

文献信息

• Xenon(IV)–Carbon Bond of [C₆F₅XeF₂]⁺; Structural Characterization and Bonding of [C₆F₅XeF₂][BF₄], [C₆F₅XeF₂][BF₄]·2HF, and [C₆F₅XeF₂][BF₄]·<i>n</i>NCCH ₃ (<i>n</i> = 1, 2); and the Fluorinating Properties of [C₆F₅XeF₂][BF₄]
  作者：Karsten Koppe、Jamie Haner、Hélène P. A. Mercier、Hermann-J. Frohn、Gary J. Schrobilgen

  DOI：10.1021/ic501831j

  日期：2014.11.3

  The [C6F5XeF2](+) cation is the only example of a Xe(IV)-C bond, which had only been previously characterized as its [BF4](-) salt in solution by multi-NMR spectroscopy. The [BF4](-) salt and its new CH3CN and HF solvates, [C6F5XeF2][BF4].1.5CH(3)CN and [C6F5XeF2[BF4].2HF, have now been synthesized and fully characterized in the solid state by low-temperature, single-crystal X-ray diffraction and Raman spectroscopy. Crystalline [C6F5XeF2][BF4] and [C6F5XeF2][BF4].1.5CH3CN were obtained from CH3CN/CH2Cl2 solvent mixtures, and [C6F5XeF2][BF4].2HF was obtained from anhydrous HF (aHF), where [C6F5XeF2][BF4].1.5CH3CN is comprised of an equimolar mixture of [C6F5XeF2][BF4].CH3CN and [C6F5XeF2][BF4].2CH3CN. The crystal structures show that the [C6F5XeF2](+) cation has two short contacts with the F atoms of [BF4](-) or with the F or N atoms of the solvent molecules, HF and CH3CN. The low-temperature solid-state Raman spectra of [C6F5XeF2][BF4] and C6F5IF2 were assigned with the aid of quantum-chemical calculations. The bonding in [C6F5XeF2](+), C6F5IF2, [C6F5XeF2][BF4], [C6F5XeF2][BF4].CH3CN, [C6F5XeF2][BF4].2CH(3)CN, and [C6F5XeF2][BF4].2HF was assessed with the aid of natural bond orbital analyses and molecular orbital calculations. The (129)Xe, (19)F, and (11)B NMR spectra of [C6F5XeF2][BF4] in aHF are reported and compared with the (19)F NMR spectrum of C6F5IF2, and all previously unreported J((129)Xe-(19)F) and J((19)F-(19)F) couplings were determined. The long-term solution stabilities of [C6F5XeF2][BF4] were investigated by (19)F NMR spectroscopy and the oxidative fluorinating properties of [C6F5XeF2][BF4] were demonstrated by studies of its reactivity with K[C6F5BF3], Pn(C6F5)(3) (Pn = P, As, or Bi), and C6F5X (X = Br or I).
• Schmuck, Arno; Seppelt, Konrad, Chemische Berichte, 1989, vol. 122, p. 803 - 808
  作者：Schmuck, Arno、Seppelt, Konrad

  DOI：——

  日期：——
• Tyrra, W.; Naumann, D., Canadian Journal of Chemistry, 1989, vol. 67, p. 1949 - 1951
  作者：Tyrra, W.、Naumann, D.

  DOI：——

  日期：——
• TYRRA, W.;NAUMANN, D., CAN. J. CHEM., 67,(1989) N1, C. 1949-1951
  作者：TYRRA, W.、NAUMANN, D.

  DOI：——

  日期：——
• [(C6F5)2IF2][BF4], the First Salt with the Electrophilic Cation [(C6F5)2IF2]+: Synthesis, Reactivity, and Structure
  作者：Hermann-Josef Frohn、André Wenda、Ulrich Flörke

  DOI：10.1002/zaac.200700499

  日期：2008.4

  substitution of hypervalently bonded fluorine atoms in C6F5IF4 was performed with C6F5BF2 and resulted in the new salt [(C6F5)2IF2][BF4]. The iodonium(V) salt was characterized by multi-NMR and Raman spectroscopy and X-ray crystal structure analysis. The fluorinating ability of the new electrophilic cation [(C6F5)2IF2]+ was exemplified in reactions with monovalent iodine compounds (C6F5I, p-FC6H4I

  C6F5IF4 中高价键合的氟原子被 C6F5BF2 取代，产生了新的盐 [(C6F5) 2IF2] [BF4]。碘鎓 (V) 盐通过多核磁共振和拉曼光谱以及 X 射线晶体结构分析进行表征。新的亲电阳离子 [(C6F5) 2IF2] + 的氟化能力在与单价碘化合物（C6F5I、p-FC6H4I 和 I2）和缺电子的三（有机基）pnictanes ER3（E = P，As , Sb, Bi; R = C6F5)。在 MeCN 中与 CsF 的多相反应中，[(C6F5) 2IF2] + 阳离子形成双核 [(C6F5) 2IF2} 2F] + 阳离子。