chromium(VI) tetrafluoride oxide | 57414-29-6

• 英文名称: chromium(VI) tetrafluoride oxide
• 英文别名: chromium oxotetrafluoride；chromium oxide tetrafluoride；chromium oxytetrafluoride
• CAS: 57414-29-6；23276-90-6
• 化学式: CrF₄O
• 分子量: 143.989
• InChiKey: MHSCZPAMCXOZTI-UHFFFAOYSA-J

物化性质

• 溶解度：
  与水、丙酮、二甲基亚砜反应

计算性质

• 辛醇/水分配系数(LogP)：
  1.56
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  chromium(VI) tetrafluoride oxide 、 亚硝酰氟 以 neat (no solvent) 为溶剂， 生成 iminooxonium oxochromium(VI) fluoride
  参考文献：
  名称：

  Christe, Karl O.; Wilson, William W.; Bougon, Roland A., Inorganic Chemistry, 1986, vol. 25, # 13, p. 2163 - 2169

  摘要：

  DOI：
• 作为产物：
  描述：

  chromium pentafluoride 在 水 作用下， 以 neat (no solvent) 为溶剂， 生成 chromium,fluoro hypofluorite 、 chromium(VI) tetrafluoride oxide
  参考文献：
  名称：

  Jacob, Eberhard; Willner, Helge, Chemische Berichte, 1990, vol. 123, p. 1319 - 1322

  摘要：

  DOI：

文献信息

• A new synthesis and i.r. characterisation of chromium hexafluoride
  作者：Eric G. Hope、Peter J. Jones、William Levason、J. Steven Ogden、Mahmoud Tajik

  DOI：10.1039/c39840001355

  日期：——

  A convenient synthesis of CrF6 from CrO3 and F2(170 °C/25 atm/72 h) is described; it is characterized by matrix-isolation i.r. spectroscopy, and using this technique there is wvidence that molecular CrF6 undergoes thermal decomposition to CrF4 at low pressures.

  描述了从CrO 3和F 2（170°C / 25 atm / 72 h）方便地合成CrF 6的方法。它的特征在于基体隔离红外光谱，并且使用这种技术可以证明分子CrF 6在低压下会热分解为CrF 4。
• Group 6 Oxyfluoro‐Anion Salts of [XeF ₅ ] ⁺ and [Xe ₂ F ₁₁ ] ⁺ : Syntheses and Structures of [XeF ₅ ][M ₂ O ₂ F ₉ ] (M=Mo, W), [Xe ₂ F ₁₁ ][M′OF ₅ ] (M′=Cr, Mo, W), [XeF ₅ ][HF ₂ ]⋅CrOF ₄ , and [XeF ₅ ][WOF ₅ ]⋅XeOF ₄
  作者：Mark R. Bortolus、Hélène P. A. Mercier、Gary J. Schrobilgen

  DOI：10.1002/chem.202000826

  日期：2020.7.22

  The reactions of the fluoride‐ion donor, XeF6, with the fluoride‐ion acceptors, M′OF4 (M′=Cr, Mo, W), yield [XeF5]+ and [Xe2F11]+ salts of [M′OF5]− and [M2O2F9]− (M=Mo, W). Xenon hexafluoride and MOF4 react in anhydrous hydrogen fluoride (aHF) to give equilibrium mixtures of [Xe2F11]+, [XeF5]+, [(HF)n F]−, [MOF5]−, and [M2O2F9]− from which the title salts were crystallized. The [XeF5][CrOF5] and [Xe2F11][CrOF5]

  氟离子供体XeF 6与氟离子受体M'OF 4（M'= Cr，MO，W）的反应生成[XeF 5 ] +和[Xe 2 F 11 ] +的盐[M'OF 5 ] -和[M 2 O 2 F 9 ] -（M ＝ MO，W）。六氟化氙与MOF 4在无水氟化氢（aHF）中反应，得到[Xe 2 F 11 ] +，[XeF 5 ] +，[（HF）n F] -的平衡混合物，[MOF 5 ] -和[M 2 O 2 F 9 ] -，从其中结晶出标题盐。在低温（LT）下，由于低温下的氟离子亲和力低，无法从CrOF 4和XeF 6的混合物在aHF中形成[XeF 5 ] [CrOF 5 ]和[Xe 2 F 11 ] [CrOF 5 ]盐。 CrOF 4，但相反生成[XeF 5 ] [HF 2 ]·CrOF 4。相反，MOOF 4和WOF 4足够路易斯酸性抽象˚F -从离子[（HF）Ñ F] -在AHF，得到[MOF 5 ]
• Chromium Oxide Tetrafluoride and Its Reactions with Xenon Hexafluoride; the [XeF ₅ ] ⁺ and [Xe ₂ F ₁₁ ] ⁺ Salts of the [Cr ^VI OF ₅ ] ⁻ , [Cr ^V OF ₅ ] ²⁻ , [Cr ^V ₂ O ₂ F ₈ ] ²⁻ , and [Cr ^IV F ₆ ] ²⁻ Anions
  作者：James T. Goettel、Mark R. Bortolus、Daniel G. Stuart、Hélène P. A. Mercier、Gary J. Schrobilgen

  DOI：10.1002/chem.201903135

  日期：2019.12.10

  motif among the known oxyfluoro-anions of Group 6. The X-ray structures show that [XeF5 ]+ and [Xe2 F11 ]+ form ion pairs with their respective anions by means of Xe- - -F-Cr bridges. Quantum-chemical calculations were carried out to obtain the energy-minimized, gas-phase geometries and the vibrational frequencies of the anions and their ion pairs and to aid in the assignments of their Raman spectra

  XeF6和CrVI OF4的熔融混合物通过F2消除反应形成[XeF5] [Xe2 F11] [CrV OF5]⋅2CrVI OF4，[XeF5] 2 [CrIV F6]⋅2CrVI OF4，[Xe2 F11] 2 [ CrIV F6]和[XeF5] 2 [CrV 2 O2 F8]，而它们在无水氟化氢（aHF）和CFCl3 / aHF中的反应则产生[XeF5] 2 [CrV 2 O2 F8]⋅2HF和[XeF5] 2 [ CrV 2 O2 F8]⋅2XeOF4。除了[Xe2 F11] [MVI OF5]和[XeF5] [MVI 2 O2 F9]（M = Mo或W）以外，这些盐是已知唯一能稳定稀有气体阳离子的6族氧氟阴离子。他们的反应途径涉及氧化还原转化，产生已知的[CrV OF5] 2-和[CrIV F6] 2-阴离子的[XeF5] +和/或[Xe2 F11] +盐，以及新型的[CrV 2 O2
• Huang, Jinfan; Hedberg, Kenneth; Shreeve, Jean'ne M., Inorganic Chemistry, 1988, vol. 27, # 25, p. 4633 - 4635
  作者：Huang, Jinfan、Hedberg, Kenneth、Shreeve, Jean'ne M.、Mallela

  DOI：——

  日期：——
• Syntheses, Structures, and Bonding of NgF ₂ ⋅CrOF ₄ , NgF ₂ ⋅2CrOF ₄ (Ng=Kr, Xe), and (CrOF ₄ ) _∞
  作者：Hélène P. A. Mercier、Ulf Breddemann、David S. Brock、Mark R. Bortolus、Gary J. Schrobilgen

  DOI：10.1002/chem.201902005

  日期：2019.9.18

  AbstractThe noble‐gas difluoride adducts, NgF2⋅CrOF4 and NgF2⋅2CrOF4 (Ng=Kr and Xe), have been synthesized and structurally characterized at low temperatures by Raman spectroscopy and single‐crystal X‐ray diffraction. The low fluoride ion affinity of CrOF4 renders it incapable of inducing fluoride ion transfer from NgF2 (Ng=Kr and Xe) to form ion‐paired salts of the [NgF]+ cations having either the [CrOF5]− or [Cr2O2F9]− anions. The crystal structures show the NgF2⋅CrOF4 adducts are comprised of Ft−Ng−Fb‐ ‐ ‐Cr(O)F4 structural units in which NgF2 is weakly coordinated to CrOF4 by means of a fluorine bridge, Fb, in which Ng−Fb is elongated relative to the terminal Ng−Ft bond. In contrast with XeF2⋅2MOF4 (M=Mo or W) and KrF2⋅2MoOF4, in which the Lewis acidic, F4(O)M‐ ‐ ‐Fb‐ ‐ ‐M(O)F3 moiety coordinates to Ng through a single M‐ ‐ ‐Fb−Ng bridge, both fluorine ligands of NgF2 coordinate to CrOF4 molecules to form F4(O)Cr‐ ‐ ‐Fb−Ng−Fb‐ ‐ ‐Cr(O)F4 adducts in which both Ng−Fb bonds are only marginally elongated relative to the Ng−F bonds of free NgF2. Quantum‐chemical calculations show that the Cr−Fb bonds of NgF2⋅CrOF4 and NgF2⋅2CrOF4 are predominantly electrostatic with a small degree of covalent character that accounts for their nonlinear Cr‐ ‐ ‐Fb−Ng bridge angles and staggered O−Cr‐ ‐ ‐Fb−Ng−Ft dihedral angles. The crystal structures and Raman spectra of two CrOF4 polymorphs have also been obtained. Both are comprised of fluorine‐bridged chains that are cis‐ and trans‐fluorine‐bridged with respect to oxygen.