hydroperoxy radical | 37006-04-5

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物
• 英文名称: hydroperoxy radical
• 英文别名: hydroperoxyl；yy
• CAS: 37006-04-5
• 化学式: HO₂
• 分子量: 37.0079
• InChiKey: OUUQCZGPVNCOIJ-XPULMUKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.11
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.13
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  ozone 、 hydroperoxy radical 以 gas 为溶剂， 生成 ozone 、 hydroperoxy radical
  参考文献：
  名称：

  Kinetic study of the reaction of HO₂ with ozone

  摘要：

  The reaction HO2+O3→OH+2O2 has been studied using a discharge-flow system with laser magnetic resonance detection. The rate constant for the reaction was determined directly by monitoring the first-order decay of isotopically labeled H18O2 in excess 16O3. The data give a curved Arrhenius plot over the temperature range 243<T<413 K: k(T)=(3.8±2.4) ×10−14 exp[−(820±190/T)] cm3 s−1. A more representative fit is obtained with a three parameter expression: k(T)=(3.2±5.8)×10−13 exp[−(1730±740)/T] + (1.2±0.5)×10−15 cm3 s1. The error limits are the 95% confidence limits on the coefficients while the accuracy of the measurements is estimated to be about ±20% at each temperature. An analysis of the OH radical product indicates that 16OH is formed predominately (75±10)%. The scrambling reactions H18O2+16O3→H16O2+18O18O16O (1c) and H18O2+16O2→H16O2+18O2 (8) were also examined and found to be slow. Their rate constants are k1c<2×10−17 cm3 s−1 at 297 and 333 K and k8<3×10−17 cm3 s−1 at 297 and 413 K.

  DOI：

  10.1063/1.453136
• 作为产物：
  描述：

  氢溴酸 、 氧气-18O2 以 solid matrix 为溶剂， 生成 hydroperoxy radical
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: O: MVol.8, 42, page 2621 - 2623

  摘要：

  DOI：

文献信息

• Infrared Spectroscopic Evidence for the Species HO₂
  作者：Dolphus E. Milligan、Marilyn E. Jacox

  DOI：10.1063/1.1733562

  日期：1963.6

  Infrared absorptions observed following the photolysis of mixtures of HI and O2 in an Ar matrix at 4°K appear to be contributed by HO2 produced in the matrix. Studies on isotopically substituted systems support this assignment. The two oxygen atoms have been shown to be nonequivalent. Approximate force constants and thermodynamic functions for HO2 are tabulated.
• 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.
• Infrared spectra of cyclic-O6+ and trans-O6+ in solid neon and argon
  作者：Mingfei Zhou、Jale Hacaloglu、Lester Andrews

  DOI：10.1063/1.478910

  日期：1999.5.15

  Charged transient species in the oxygen system have been trapped in solid argon and neon using electron impact, Townsend discharge, and laser-ablation methods. The previously identified O3−, O4−, and O4+ species are observed in these experiments. Absorptions at 1435.0 and 1429.5 cm−1 in solid neon are characterized as cyclic-O6+ and trans-O6+, respectively, on the basis of annealing behavior, isotopic substitution, multiplet structure in mixed O216+18O2 experiments, and density functional calculations. Cyclic-O6+ is observed at 1416.1 cm−1 in solid argon, a smaller displacement than found for cyclic-O4+ in solid argon.