bromine trioxide radical | 32062-14-9

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: bromine trioxide radical
• 英文别名: bromine trioxide；Trioxidobromine(.)
• CAS: 32062-14-9
• 化学式: BrO₃
• 分子量: 127.902
• InChiKey: BITCROISCRLZEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  potassium bromate 以 solid matrix 为溶剂， 生成 bromine trioxide radical
  参考文献：
  名称：

  Oxidation of BrO⁻₃in solid matrices studied by ESR. Environment‐dependent electronic ground state of bromine trioxide

  摘要：

  Bromine trioxide was prepared in KClO4 crystals doped with BrO−3 by reaction with radiation-induced holes at ∼30 K. The observed ESR spectrum bears no resemblance to that ascribed earlier to BrO3, produced analogously in KNO3. While BrO3 is structurally analogous to ClO3, having a large spin density on the bromine atom, the electron spin in BrO*3, the novel form of bromine trioxide, occupies a nonbonding orbital on the oxygen atoms. This finding is attributed to an unusually small spacing of the upper electronic levels which allows perturbations from the actual crystalline environment to govern the electronic ground state of bromine trioxide. An ESR signal associated with self-trapped holes in x-irradiated KBrO3 is consistent with the species BrO*3, which may be the ‘‘normal’’ form of bromine trioxide.

  DOI：

  10.1063/1.449416

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: O: MVol.4, 23, page 1037 - 1038
  作者：

  DOI：——

  日期：——
• Mungen, R.; Spinks, J. W. T., Canadian Journal of Research, Section B: Chemical Sciences, 1940, vol. 18, p. 363 - 371
  作者：Mungen, R.、Spinks, J. W. T.

  DOI：——

  日期：——
• Oxidation of BrO⁻₃in solid matrices studied by ESR. Environment‐dependent electronic ground state of bromine trioxide
  作者：J. R. Byberg

  DOI：10.1063/1.449416

  日期：1985.8

  Bromine trioxide was prepared in KClO4 crystals doped with BrO−3 by reaction with radiation-induced holes at ∼30 K. The observed ESR spectrum bears no resemblance to that ascribed earlier to BrO3, produced analogously in KNO3. While BrO3 is structurally analogous to ClO3, having a large spin density on the bromine atom, the electron spin in BrO*3, the novel form of bromine trioxide, occupies a nonbonding orbital on the oxygen atoms. This finding is attributed to an unusually small spacing of the upper electronic levels which allows perturbations from the actual crystalline environment to govern the electronic ground state of bromine trioxide. An ESR signal associated with self-trapped holes in x-irradiated KBrO3 is consistent with the species BrO*3, which may be the ‘‘normal’’ form of bromine trioxide.