| 102110-05-4

• CAS: 102110-05-4
• 化学式: CrF₆KrO
• 分子量: 265.786
• InChiKey: FLYSVWOAUNDGRG-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9.0
• 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：

  以 further solvent(s) 为溶剂， 生成 氪(II)二氟化物 、 chromium(VI) tetrafluoride oxide
  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：

文献信息

• 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.