hydroperoxyl radical-d1 | 13587-55-8

• 英文名称: hydroperoxyl radical-d1
• 英文别名: deuterium peroxy radical
• CAS: 13587-55-8
• 化学式: HO₂
• 分子量: 33.9988
• InChiKey: OUUQCZGPVNCOIJ-DYCDLGHISA-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：

  hydroperoxyl radical-d1 生成 hydrogen peroxide
  参考文献：
  名称：

  红外激光光谱研究DO 2自由基的歧化

  摘要：

  使用闪光灯光解法和可调谐二极管激光光谱法，在6至15 Torr的总压力下测量了DO 2自由基双分子歧化的速率系数。297和354 K之间的温度下的速率系数可以表示为2.0×10 -14 exp（+ 920 / T）cm 3分子-1 s -1。在ν的测量的强度2 DO的带2在1020厘米-1是107±30厘米-2（STP大气压） -1。

  DOI：

  10.1016/0009-2614(88)85212-6
• 作为产物：
  描述：

  氧气 在 D₂O 、 partially deuterated allyl alcohol 作用下， 以 neat (no solvent, gas phase) 为溶剂， 生成 hydroperoxyl radical-d1
  参考文献：
  名称：

  Diode laser spectroscopy of the ν₃ and ν₂ fundamental bands of DO₂

  摘要：

  The diode laser spectrum and the IR LMR spectrum of the ν3 fundamental band (O–O stretch) of DO2 were observed, as well as the diode laser spectrum of the ν2 fundamental band (D–O–O bend). Simultaneous analysis of the ν3 and ν2 bands has yielded the molecular constants for the (001) and (010) states and the Coriolis coupling constant. These, together with other available molecular constants for DO2 and HO2 were used to derive the equilibrium molecular structure of the HO2 radical, as already reported [K. G. Lubic et al., J. Chem. Phys. 81, 4826 (1984)]. The harmonic force field obtained in the present study has explained well the general features of the Coriolis coupling constant, quartic centrifugal distortion constants, and the inertia defects for DO2.

  DOI：

  10.1063/1.449668

文献信息

• Spatial Distribution of Free Radicals as studied by Electron Spin Resonance
  作者：ROBERT C. SMITH、S. J. WYARD

  DOI：10.1038/191897a0

  日期：1961.8

  THE spatial distribution of free radicals produced by irradiation is of interest in radiation chemistry and radiation biology. Although there have been many theoretical treatments of this problem, direct experimental evidence has so far been lacking. Electron spin resonance spectroscopy provides a means of measuring the distribution of free radicals; and we report here a preliminary investigation by

  辐射产生的自由基的空间分布在辐射化学和辐射生物学中很受关注。尽管对这个问题有很多理论处理方法，但迄今为止缺乏直接的实验证据。电子自旋共振光谱提供了一种测量自由基分布的方法；我们在这里报告了通过这种方法进行的初步调查。
• Kinetic Study of the Reactions of BrO Radicals with HO₂ and DO₂
  作者：Yuri Bedjanian、Véronique Riffault、Gilles Poulet

  DOI：10.1021/jp0032255

  日期：2001.4.1

  The kinetics of the reactions of BrO radicals with HO2 and DO2 radicals, HO2 + BrO → products (1) and DO2 + BrO → products (3), have been studied by the mass spectrometric discharge flow method at ...

  BrO 自由基与 HO2 和 DO2 自由基的反应动力学， + BrO → 产物 (1) 和 DO2 + BrO → 产物 (3)，已经在 ...
• Infrared Spectrum of Hg(OH)₂ in Solid Neon and Argon
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1021/ic048673w

  日期：2005.1.1

  Mercury(II) hydroxide molecules have been prepared upon mercury arc lamp irradiation of Hg, H(2), and O(2) mixtures in solid neon and argon. The strongest three infrared absorptions are identified through isotopic substitution (D(2), HD, (18)O(2), (16)O(18)O) and comparison to frequencies from DFT calculations. The isolated Hg(OH)(2) molecule is stable and has a linear O-Hg-O linkage in a C(2) structure

  汞（II）氢氧化物分子是在汞弧灯照射下在固态氖气和氩气中的Hg，H（2）和O（2）混合物辐照后制得的。通过同位素取代（D（2），HD，（18）O（2），（16）O（18）O）并与DFT计算的频率进行比较，可以确定最强的三种红外吸收。分离的Hg（OH）（2）分子是稳定的，并且在具有86度二面角的C（2）结构中具有线性O-Hg-O键。但是，在水溶液中，Hg（2+）和2OH（-）可能会形成Hg（OH）（2）中间体，该中间体会消除水并沉淀出固态HgO：固态Hg（OH）（2）化合物是未知的。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: O: MVol.8, 42, page 2621 - 2623
  作者：

  DOI：——

  日期：——
• Clyne, M. A. A.; Thrush, B. A., Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences, 1963, vol. 275, p. 559 - 574
  作者：Clyne, M. A. A.、Thrush, B. A.

  DOI：——

  日期：——