methyl disulfide radical | 29245-72-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: methyl disulfide radical
• 英文别名: CH3SS radical；Methyldithio radical
• CAS: 29245-72-5
• 化学式: CH₃S₂
• 分子量: 79.1668
• InChiKey: CTHGBGFXSQFTRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  二甲基二硫 、 methyl disulfide radical 生成 二甲基三硫 、 methylthio radical
  参考文献：
  名称：

  Scavenging of Radicals from the Gas Phase by Freezing with Dimethyl Disulfide

  摘要：

  AbstractH and O atoms and methyl radicals produced in microwave discharges of H2/He, O2/He and CH4/He mixtures, respectively, were scavenged by supersonic nozzle probing with subsequent freezing and reaction with dimethyl disulfide on a liquid nitrogen cooled wall. The main reaction products for the three kinds of radicals were CH3SH, CH3S(O)SCH3 and CH3SCH3, respectively. Side products were CH3SCH2SSCH3 and CH3SSSCH3 for H atoms and CH3S(O)2SCH3 for O atoms. – The scavenging efficiencies for the different radicals were determined and measured as a function of the gas phase radical concentration, the flow of scavenger molecules, the pressure in the vacuum chamber, and the conditions of the discharge and the flow through the sampling nozzle. It is concluded that this method is suitable for light radicals with reservations in the case of H atoms and can probably be used with still better success for heavier radicals.

  DOI：

  10.1002/bbpc.19870910702
• 作为产物：
  描述：

  二甲基二硫 生成 甲基自由基 、 methyl disulfide radical
  参考文献：
  名称：

  CH3SS自由基不同离子态的首次实验观察：HeI光电子能谱

  摘要：

  通过在 215(±0.5) °C 下热解 CH3SSCH3 原位产生连续流动的 CH3SS 自由基束。首次在原位记录了明显而完整的 CH3SS 自由基的光电子 (PE) 光谱。在低于 12 eV 的 PE 光谱中观察到 8.63、9.36、9.94、10.29、10.72 eV 的五个尖峰和一个 11.82 eV 的更宽的峰。具有最低电离能的第一个峰，8.63 eV，归因于从 CH3SS 自由基的最高占据分子轨道 (HOMO) 5a" 中去除一个电子，对应于 CH3SS+(X 1A')←CH3SS(X 2A" ) 电离。第一个峰上的振动间距 600±60 cm-1 对应于光电离过程中 CH3SS+ 阳离子中激发的 S-S 拉伸模式。9.36 和 9.94 eV 处的尖峰来自于从 16a' 轨道中去除电子，导致 CH3SS 自由基的离子态为 3A" 和 1A"，而在 10.29 和 10.72

  DOI：

  10.1063/1.1343081

文献信息

• Ultraviolet photodissociation study of CH₃SCH₃ and CH₃SSCH₃
  作者：Y. R. Lee、C. L. Chiu、S. M. Lin

  DOI：10.1063/1.466881

  日期：1994.5.15

  The photodissociation processes of CH3SSCH3 at 248 and 193 nm and CH3SCH3 at 193 nm have been studied by translational spectroscopy. When excited at 248 nm, CH3SSCH3 undergoes a simple S–S bond scission to produce two CH3S fragments with an average translational energy of 33 kcal/mol. The angular distribution of the product with respect to the polarized laser is measured and fitted with an anisotropy parameter β=1.2. It indicates that the dissociation is a fast, direct process. At 193 nm, there is only a simple dissociation channel for CH3SCH3, while CH3SSCH3 undergoes a predominant C–S bond scission with the S–S bond scission as a minor channel. No angular dependence for the primary products from both CH3SCH3 and CH3SSCH3 has been observed. The observation of S+2 time-of-flight spectra shows that a major fraction of CH3S2, which is internally excited when produced, undergoes spontaneous dissociation to form slow S2 and CH3 radicals. Results obtained for the dissociation processes of both molecules at 193 nm are rationalized and comparisons with previous investigations [J. Chem. Phys. 92, 6587 (1990); 95, 5014 (1991)] are also included.
• First experimental observation on different ionic states of the CH3SS radical: A HeI photoelectron spectrum
  作者：Ge Maofa、Wang Jing、Sun Zheng、Zhu Xinjiang、Wang Dianxun

  DOI：10.1063/1.1343081

  日期：2001.2.15

  radical beam is produced in situ by pyrolysis of CH3SSCH3 at 215(±0.5) °C. An obvious and complete photoelectron (PE) spectrum of the CH3SS radical is recorded in situ for the first time. Five sharp peaks at 8.63, 9.36, 9.94, 10.29, 10.72 eV and one broader band at 11.82 eV are observed in the PE spectrum below 12 eV. The first peak with the lowest ionization energy, 8.63 eV, is attributed to removal

  通过在 215(±0.5) °C 下热解 CH3SSCH3 原位产生连续流动的 CH3SS 自由基束。首次在原位记录了明显而完整的 CH3SS 自由基的光电子 (PE) 光谱。在低于 12 eV 的 PE 光谱中观察到 8.63、9.36、9.94、10.29、10.72 eV 的五个尖峰和一个 11.82 eV 的更宽的峰。具有最低电离能的第一个峰，8.63 eV，归因于从 CH3SS 自由基的最高占据分子轨道 (HOMO) 5a" 中去除一个电子，对应于 CH3SS+(X 1A')←CH3SS(X 2A" ) 电离。第一个峰上的振动间距 600±60 cm-1 对应于光电离过程中 CH3SS+ 阳离子中激发的 S-S 拉伸模式。9.36 和 9.94 eV 处的尖峰来自于从 16a' 轨道中去除电子，导致 CH3SS 自由基的离子态为 3A" 和 1A"，而在 10.29 和 10.72
• Scavenging of Radicals from the Gas Phase by Freezing with Dimethyl Disulfide
  作者：M. Schottler、K. H. Homann

  DOI：10.1002/bbpc.19870910702

  日期：1987.7

  AbstractH and O atoms and methyl radicals produced in microwave discharges of H2/He, O2/He and CH4/He mixtures, respectively, were scavenged by supersonic nozzle probing with subsequent freezing and reaction with dimethyl disulfide on a liquid nitrogen cooled wall. The main reaction products for the three kinds of radicals were CH3SH, CH3S(O)SCH3 and CH3SCH3, respectively. Side products were CH3SCH2SSCH3 and CH3SSSCH3 for H atoms and CH3S(O)2SCH3 for O atoms. – The scavenging efficiencies for the different radicals were determined and measured as a function of the gas phase radical concentration, the flow of scavenger molecules, the pressure in the vacuum chamber, and the conditions of the discharge and the flow through the sampling nozzle. It is concluded that this method is suitable for light radicals with reservations in the case of H atoms and can probably be used with still better success for heavier radicals.