[chloryl][SbF6] | 27204-29-1

• 英文名称: [chloryl][SbF6]
• CAS: 27204-29-1
• 化学式: ClO₂*F₆Sb
• 分子量: 303.192
• InChiKey: SXFBLTMAKBFLIB-UHFFFAOYSA-H

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：

  三氟化溴 、 [chloryl][SbF6] 以 neat (no solvent) 为溶剂， 生成 氯氧基氟化物
  参考文献：
  名称：

  Schmeisser, M.; Fink, W., Angewandte Chemie, 1957, vol. 69, p. 780 - 780

  摘要：

  DOI：
• 作为产物：
  描述：

  氯氧基氟化物 、 五氟化锑 以 氢氟酸 为溶剂， 生成 [chloryl][SbF6]
  参考文献：
  名称：

  Behavior of BrO₃F and ClO₃F Toward Strong Lewis Acids and the Characterization of [XO₂][SbF₆] (X = Cl, Br) by Single Crystal X-ray Diffraction, Raman Spectroscopy, and Computational Methods

  摘要：

  The interactions of BrO3F and ClO3F with the strong Lewis acids AsF5 and SbF5 were investigated. Although ClO3F is unreactive toward AsF5 and SbF5, BrO3F undergoes fluoride ion abstraction and O-2 elimination, accompanied by central halogen reduction, to form [BrO2][SbnF5n+1] (n >= 1), rather than simple fluoride ion abstraction to form BrO3+ salts. The geometric parameters of the BrO2+ cation have been obtained in the solid state for the first time by a single-crystal X-ray diffraction study of [BrO2][SbF6] at -173 degrees C and are compared with those of ClO2+ salts. Quantum-chemical calculations have been used to arrive at the geometries and vibrational frequencies of XO2+ and XO3+ (X = Cl, Br) and have been compared with the experimental values for XO2+. The calculations have also been used to account for the contrasting behaviors Of ClO3F and BrO3F toward central halogen reduction in the presence of liquid SbF5. The thermochemical stabilities of ClO3+ and BrO3+ salts of the AsF6-, SbF6-, Sb2F(11)(-), and Sb3F16- were also investigated, which provided the fluoride ion affinities of AsF5, SbF5, Sb2F10, and Sb3F15 up to and including the CCSD(T) level of theory. These values are compared with the current literature values. Thermochemical studies indicate that XO3+ formation by fluoride ion abstraction from XO3F is not spontaneous under standard conditions whereas a concerted fluoride abstraction and O-2 elimination to give the XO2+ cations is spontaneous to near thermally neutral. Failure to observe reactivity between ClO3F and any of the aforementioned Lewis acid fluoride ion acceptors is attributed to a significant kinetic barrier to fluoride ion abstraction.

  DOI：

  10.1021/ic800929h

文献信息

• Syntheses and Structural Characterizations of the Cl(V) Coordination Complex, [O2Cl(FXeF)2][AsF6], and β-[ClO2][AsF6]
  作者：Mark R. Bortolus、Mathias Ellwanger、Jamie Haner、Gary J. Schrobilgen

  DOI：10.1016/j.jfluchem.2021.109814

  日期：2021.10

  The synthesis and structural characterization of the first Cl(V) coordination complex of XeF2, [O2Cl(FXeF)2][AsF6], is described. The reaction of α-[ClO2][AsF6] with XeF2 at −78°C in anhydrous HF (aHF) solvent yields [O2Cl(FXeF)2][AsF6], a rare example of noble-gas difluoride coordination to a main-group Lewis acid center. The low-temperature (LT) phase of β-[ClO2][AsF6] was obtained by recrystallization

  描述了XeF 2的第一个Cl（V）配位化合物[O 2 Cl（FXeF）2 ] [AsF 6 ]的合成和结构表征。的反应α - [CLO 2 ] [ASF 6 ]用的XeF 2在-78℃的无水HF（AHF）溶剂产率〔O 2 Cl（上FXeF）2 ] [ASF 6 ]，稀有贵金属气体的例子二氟配位到一个主要的路易斯酸中心。β- [ClO 2 ] [AsF 6 ]的低温（LT）相通过α- [ClO 2 ] [AsF的重结晶而获得6 ]在–10°C下从aHF溶剂中提取。通过LT单晶X射线衍射和LT拉曼光谱对化合物进行表征。进行了模型气相（[O 2 Cl（FXeF）2 ] [AsF 6 ] 2）-阴离子的量子化学计算，以帮助分配[O ]的基本振动频率和35/37 Cl同位素位移2 Cl（FXeF）2 ] [AsF 6 ]并通过NBO分析评估其化学键合。[O 2 Cl（FXeF）2 ] +阳离子和[AsF
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cl: SVol.B2, 123, page 577 - 578
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cl: SVol.B2, 122, page 575 - 577
  作者：

  DOI：——

  日期：——