bromohydroperoxide | 75348-00-4

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 非金属氧阴离子化合物
• 英文名称: bromohydroperoxide
• 英文别名: bromohydrin ether；epoxy bromohydrin；hydroxy hypobromite
• CAS: 75348-00-4
• 化学式: BrHO₂
• 分子量: 112.911
• InChiKey: PQZHJQDTAMHWKF-UHFFFAOYSA-N

物化性质

• 密度：
  2.476±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  3
• 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：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氢溴酸 、 氧气 以 gaseous matrix 为溶剂， 生成 bromohydroperoxide 、 bromine superoxide 、 bromous acid 、 次溴酸 、 hydroperoxyl radical
  参考文献：
  名称：

  Matrix-isolation infrared spectra of HOOBr and HOBrO produced upon VUV light irradiation of HBr/O2/Ne system

  摘要：

  Vacuum ultraviolet (VUV) light photolysis of an HBr/O-2 mixture in a Ne matrix has produced HO2Br isomers (HOOBr and HOBrO), which are important reaction intermediates in atmospheric chemistry. The observed bands have been assigned with an aid of a quantum chemical calculation at CCSD/aug-cc-pVDZ. These assignments have been confirmed by the experimental results using isotopic species of O-18(2) or DBr. Their characteristic bands are discussed in comparison with those of HOOCl and HOClO from an HCl/O-2 mixture [7]. Both HOOBr and HOBrO are found to be photolyzed with the UV light below 385 nm. (c) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.cplett.2010.09.039

文献信息

• Matrix-isolation infrared spectra of HOOBr and HOBrO produced upon VUV light irradiation of HBr/O2/Ne system
  作者：Nobuyuki Akai、Daisuke Wakamatsu、Takeo Yoshinobu、Akio Kawai、Kazuhiko Shibuya

  DOI：10.1016/j.cplett.2010.09.039

  日期：2010.10

  Vacuum ultraviolet (VUV) light photolysis of an HBr/O-2 mixture in a Ne matrix has produced HO2Br isomers (HOOBr and HOBrO), which are important reaction intermediates in atmospheric chemistry. The observed bands have been assigned with an aid of a quantum chemical calculation at CCSD/aug-cc-pVDZ. These assignments have been confirmed by the experimental results using isotopic species of O-18(2) or DBr. Their characteristic bands are discussed in comparison with those of HOOCl and HOClO from an HCl/O-2 mixture [7]. Both HOOBr and HOBrO are found to be photolyzed with the UV light below 385 nm. (c) 2010 Elsevier B. V. All rights reserved.