bromine superoxide | 67177-47-3

• 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: bromine superoxide
• 英文别名: bromine dioxide；Bromine peroxide
• CAS: 67177-47-3
• 化学式: BrO₂
• 分子量: 111.903
• InChiKey: RVPMRNSNYCGGLE-UHFFFAOYSA-N

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：
  10.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  氢气 、 bromine superoxide 在 ferroin 作用下， 以 not given 为溶剂， 生成 bromous acid
  参考文献：
  名称：

  Growth of spherulitic crystal patterns in a Belousov–Zhabotinski type reaction system

  摘要：

  据报道，以乙酰丙酮（AA）-丁二酸（SA）为双有机基质，在贝洛索夫-扎博金斯基（BZ）型反应体系中生长出了球状晶体图案。研究发现，液相中的反应体系呈现出同心环状波纹。在反应过程中还观察到由无数细小颗粒组成的胶体相。在胶体相中发现了固相成核现象，从而形成了一些稳定的核中心。随着反应的进行，固相核以对称的晶体模式生长，呈现球状形态。此外，还讨论了球晶的可能生长行为。通过扫描电子显微镜（SEM）技术，观察到了由从共同中心发散的细小晶体纤维组成的球状结构。晶体材料的热表征（TGA/DTA）和 X 射线衍射（XRD）图也证实了球晶中发现的多晶体相。

  DOI：

  10.1039/c0nj00798f
• 作为产物：
  描述：

  bromine dioxide 以 solid matrix 为溶剂， 生成 bromine superoxide
  参考文献：
  名称：

  Maier, G.; Bothur, A., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：

文献信息

• Temperature-Dependent Rate Coefficients for the Reactions of Br(²P_3/2), Cl(²P_3/2), and O(³P_J) with BrONO₂
  作者：R. Soller、J. M. Nicovich、P. H. Wine

  DOI：10.1021/jp001947q

  日期：2001.3.8

  fluorescence technique has been employed to investigate the kinetics of reactions of the important stratospheric species bromine nitrate (BrONO2) with ground-state atomic bromine (k1), chlorine (k2), and oxygen (k3) as a function of temperature (224−352 K) and pressure (16−250 Torr of N2). The rate coefficients for all three reactions are found to be independent of pressure and to increase with decreasing

  激光闪光光解-共振荧光技术已被用于研究重要的平流层物种溴硝酸盐 (BrONO2) 与基态原子溴 (k1)、氯 (k2) 和氧 (k3) 作为函数的反应动力学温度 (224−352 K) 和压力 (16−250 Torr of N2)。发现所有三个反应的速率系数都与压力无关，并且随着温度的降低而增加。以下 Arrhenius 表达式充分描述了观察到的温度相关性（单位为 10-11 cm3molecule-1s-1）：k1 = 1.78 exp(365/T)、k2 = 6.28 exp(215/T) 和 k3 = 1.91 exp(215 /T)。报告的速率系数的准确度估计为 15-25%，具体取决于速率系数的大小和温度。与原子氧的反应是海拔 25 公里以上硝酸溴的重要平流层损失过程；如果溴分配是为了……这个反应应该包括在平流层化学模型中。
• 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-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.
• Kinetics of the IO Radical. 2. Reaction of IO with BrO
  作者：Mary K. Gilles、Andrew A. Turnipseed、James B. Burkholder,、A. R. Ravishankara、Susan Solomon

  DOI：10.1021/jp9709159

  日期：1997.7.1

  The rate coefficient for the IO + BrO --> products (1) reaction was measured using pulsed laser photolysis with a discharge flow tube for radical production and pulsed laser-induced fluorescence and UV absorption for detection of IO and BrO radicals, respectively. Reaction 1 was studied under pseudo-first-order conditions in IO with an excess of BrO between 204 and 388 K at total pressures of 6-15 Torr. The Arrhenius expression obtained for non-iodine atom producing channels is k(la)(T) = (2.5 +/- 1.0) x 10(-11) exp[(260 +/- 100)/T] cm(3) molecule(-1) s(-1) independent of pressure. The rate coefficient for the reaction BrO + BrO --> products (2) and the UV absorption cross sections of BrO as a function of temperature were also determined as part of this study. The implications of these results to the loss rate of stratospheric ozone are discussed.