tetramethylammonium difluorobromate(I) | 189505-89-3

• 英文名称: tetramethylammonium difluorobromate(I)
• CAS: 189505-89-3
• 化学式: BrF₂*C₄H₁₂N
• 分子量: 192.047
• InChiKey: PGNKFSNJNBCOOZ-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：

  tetramethylammonium difluorobromate(I) 以 neat (no solvent) 为溶剂， 生成 、 溴
  参考文献：
  名称：

  Tetramethylammonium Difluorobromate(I), (CH₃)₄N⁺BrF₂^-

  摘要：

  The thermolysis of (CH3)(4)N+Br(OCF3)(2)(-) between -70 and -10 degrees C, evolving F2CO during the decomposition, gave (CH3)(4)N+BrF2-. The characterization of (CH3)(4)N+BrF2- was carried out by IR, Raman, and F-19-and C-13-NMR. For BrF2- two infrared absorption bands at 236 and 450 cm(-1) and one band in the Raman spectrum at 460 cm(-1) were observed in accord with a centrosymmetric structure. Ab initio calculations are presented for BrF2- the isoelectronic KrF2, and other related compounds with D-infinity h symmetry.

  DOI：

  10.1021/ic961283s
• 作为产物：
  描述：

  tetramethylazanium;trifluoro(trifluoromethoxybromanuidyloxy)methane 以 neat (no solvent) 为溶剂， 生成 tetramethylammonium difluorobromate(I)
  参考文献：
  名称：

  Tetramethylammonium Difluorobromate(I), (CH₃)₄N⁺BrF₂^-

  摘要：

  The thermolysis of (CH3)(4)N+Br(OCF3)(2)(-) between -70 and -10 degrees C, evolving F2CO during the decomposition, gave (CH3)(4)N+BrF2-. The characterization of (CH3)(4)N+BrF2- was carried out by IR, Raman, and F-19-and C-13-NMR. For BrF2- two infrared absorption bands at 236 and 450 cm(-1) and one band in the Raman spectrum at 460 cm(-1) were observed in accord with a centrosymmetric structure. Ab initio calculations are presented for BrF2- the isoelectronic KrF2, and other related compounds with D-infinity h symmetry.

  DOI：

  10.1021/ic961283s