二溴一氧化物 | 68322-97-4

• 中文名称: 二溴一氧化物
• 英文名称: dibromine monoxide
• CAS: 68322-97-4
• 化学式: Br₂O
• 分子量: 175.807
• InChiKey: GBYBISFYGYTWLP-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

• 作为产物：
  描述：

  bromine monoxide 以 solid matrix 为溶剂， 生成 Dihydrate;dihydrobromide 、 二溴一氧化物
  参考文献：
  名称：

  Reversible Photoinitiated Isomerization Reaction of BrOBr to BrBrO:  A Combined Matrix Isolation and ab Initio Study

  摘要：

  The reversible photoinitiated isomerization reaction of BrOBr to BrBrO was measured in solid argon matrixes and calculated by multiconfigurational quasidegenerate perturbation theory (MCQDPT). The calculated vertical excitation energies are in good agreement with the experimentally observed excitation wavelengths. While the isomerization from BrOBr to BrBrO appears to be quantitative, some product loss is observed during the back reaction. The calculated excitation energies and oscillator strengths for transitions from the ground to excited states offer a detailed explanation of this behavior.

  DOI：

  10.1021/jp973082v

文献信息

• A Combined Matrix Isolation and ab Initio Study of Bromine Oxides
  作者：Oscar Gálvez、Anja Zoermer、Aharon Loewenschuss、Hinrich Grothe

  DOI：10.1021/jp060586x

  日期：2006.5.1

  Bromine oxides have been generated by passing a mixture of Br(2)/O(2)/Ar through a microwave discharge. The products were stabilized at 6.5 K in an excess amount of argon. Infrared spectroscopy was used to analyze the species formed; experiments with enriched (18)O(2) and ab initio calculations were carried out to assist in the assignment of the spectra. Besides the known species BrO, OBrO, and BrBrO

  通过使Br（2）/ O（2）/ Ar的混合物通过微波放电产生了溴氧化物。将产物在过量的氩气中稳定在6.5K。红外光谱法用于分析所形成的物种。实验进行了富集（18）O（2）和从头算的计算，以帮助分配光谱。除已知物种BrO，OBrO和BrBrO外，首次报道了BrOBrO，BrBrO（2）和Br（2）O（3）的新异构体的光谱证据。在目前的研究与先前的实验和理论著作之间进行了广泛的比较。讨论了所观察到的化合物生产中涉及的化学反应。观察到的和计算出的谱带位置和强度之间的良好相关性证实了这种分配。
• Matrix reaction of ozone with Cl2 and Br2. FTIR identification of BrC10 and ClBrO species
  作者：L. Schriver-Mazzuoli、O. Abdelaoui、C. Lugez、A. Schriver

  DOI：10.1016/0009-2614(93)85676-f

  日期：1993.11

  Photolysis of argon samples containing Cl2, Br2, O3 with 800-360 nm irradiation produced new absorptions at 940.9-932.7 and 818.9-817.5 cm−1, which were assigned to the new BrClO and ClBrO species. Formation of these species proceeds through photodissociation of BrCl: O3 and ClBr: O3 complexes. Photolysis of ClBrO molecules above 400 nm produced BrCl species.

  含Cl 2，Br 2，O 3的氩气样品在800-360 nm照射下发生光解，在940.9-932.7和818.9-817.5 cm -1处产生新的吸收，这些吸收被指定为新的BrClO和ClBrO种类。这些物质的形成通过BrCl：O 3和ClBr：O 3络合物的光解而进行。ClBrO分子在400 nm以上的光解产生BrCl物质。