硫代过氧自由基 | 62470-71-7

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均质其他非金属化合物
• 中文名称: 硫代过氧自由基
• 英文名称: thioperoxy radical
• CAS: 62470-71-7
• 化学式: HOS
• 分子量: 49.0733
• InChiKey: CKIBMZIMKMUBPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  2
• 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：
  2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  硫代过氧自由基 、 臭氧 以 gaseous matrix 为溶剂， 生成 mercapto radical
  参考文献：
  名称：

  巯基和巯基氧基与臭氧反应的动力学

  摘要：

  DOI：

  10.1021/j100388a009
• 作为产物：
  描述：

  mercapto radical 在 二氧化氮 作用下， 以 gas 为溶剂， 生成 硫代过氧自由基 、 氧化亚氮
  参考文献：
  名称：

  巯基（SH）与二氧化氮，臭氧，分子氧和过氧化氢的动力学

  摘要：

  DOI：

  10.1021/j100271a038

文献信息

• Determination of the electric dipole moment of the HSO radical in its and electronic states
  作者：Christopher R. Webster、Philip J. Brucat、Richard N. Zare

  DOI：10.1016/0022-2852(82)90093-5

  日期：1982.3

  zero-field-forbidden 000-111, 111-000 lines of the HSO A 2 A′(003)- X 2 A″(000) transition. A single-mode dye laser is used to record the Doppler-limited fluorescence excitation spectrum as a function of applied electric field (0–11 kV/cm) for excitation polarizations parallel and perpendicular to the applied field direction. The electric dipole moment along the a axis of this near-prolate asymmetric

  摘要 测量了 HSO A 2 A'(003)- X 2 A″(000) 零场允许的 000-110、110-000 和零场禁止的 000-111、111-000 线的斯塔克位移） 过渡。单模染料激光器用于记录多普勒限制荧光激发光谱作为外加电场 (0–11 kV/cm) 的函数，用于平行和垂直于外加场方向的激发偏振。沿着这个近长的不对称顶部的 a 轴的电偶极矩确定为 μ″a = 2.20 ± 0.08 D 和 μ′a = 1.05 ± 0.08 D，与最近的 ab initio 计算非常一致。
• Mechanism of the atomic oxygen(3P) + hydrogen sulfide reaction. Abstraction or addition?
  作者：Donald L. Singleton、George Paraskevopoulos、Robert S. Irwin

  DOI：10.1021/j100211a011

  日期：1982.7
• Reactions of HS with NO and NO₂ at 298 K
  作者：G. Black

  DOI：10.1063/1.446838

  日期：1984.2

  HS radicals have been generated by the photodissociation of H2S at 193 nm and their disappearance monitored by LIF. The reaction of HS with NO, like the analogous reaction of OH with NO, has been shown to involve a third body. The low pressure rate coefficients have been determined for He, Ar, and N2. The values are 2.1, 2.2, and 2.4×10−31 cm6 molecule−2 s−1, respectively, with estimated uncertainties of ±10%. The high pressure limit is (2.8±1.0)×10−11 cm3 molecule−1 s−1. The reaction with NO2 (HS+NO2→HSO+NO) is second order with a rate coefficient of (3.5±0.4)×10−11 cm3 molecule−1 s−1. An upper limit for the rate coefficient with O2 has been estimated (4×10−17 cm3 molecule−1 s−1).
• Microwave spectra of the HSO and DSO radicals
  作者：Yasuki Endo、Shuji Saito、Eizi Hirota

  DOI：10.1063/1.442600

  日期：1981.11

  The microwave spectra of the HSO and DSO radicals in the ground state were observed in glow discharges in a mixture of H2S or D2S and O2. Both a-type and b-type transitions were assigned and analyzed. The hyperfine coupling constants of the hydrogen nucleus of HSO were determined for the first time. These constants resulted in a conclusion that the ground electronic state of HSO is 2A″. The rotational constants, centrifugal distortion constants, and spin–rotation coupling constants including their centrifugal distortion terms for both the species were also determined with good precision. The diagonal components of the magnetic hyperfine interaction for the deuterium nucleus of DSO were not obtained because most of the hyperfine splittings were not resolved or resolved partially. However, the off-diagonal component Tab was determined from an analysis of a local perturbation between the 312 J = 7/2 and 404 J = 7/2 levels connected by the εab+εba term.