CD3SO-radical

• 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: CD3SO-radical
• 化学式: CH₃OS
• 分子量: 66.0764
• InChiKey: BSASGANESDGUBT-FIBGUPNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 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

• 作为产物：
  描述：

  生成 allyl radical 、 CD3SO-radical
  参考文献：
  名称：

  甲基亚磺酰基CH3（O）S的基质分离和光谱性质。

  摘要：

  大气中高度相关的甲基亚磺酰基CH3（O）S是在快速热解条件下热生成的，并在10 K的Ar矩阵中分离；烯丙基是副产物。CH3（O）S及其D3-和（13）C同位素异构体的特征是通过实验和计算的IR和UV / Vis光谱之间的出色一致性来表征的。

  DOI：

  10.1039/c3cc45379k

文献信息

• Diode laser measurements of CD₃ quantum yields and internal energy for the dissociation of dimethyl sulfoxide-d₆
  作者：R. N. Rudolph、Simon W. North、Gregory E. Hall、Trevor J. Sears

  DOI：10.1063/1.473232

  日期：1997.1.22

  Infrared diode laser absorption spectroscopy has been used to measure the CD3 radical photoproducts formed in the 193 and 222 nm photodissociation of dimethyl sulfoxide-d6. Quantum yields of CD3 have been determined to be 1.4±0.1 at 193 nm and 1.2±0.2 at 222 nm, compared to 2.0 for acetone-d6 at 193 nm. An analysis of transient waveforms reflecting the vibrational relaxation and radical recombination kinetics also yields an estimate of the nascent CD3 vibrational energy content by determining the fraction of total CD3 initially produced in the vibrationless state. The nascent CD3 population in the vibrational ground state decreases in order for the following photodissociation systems: CD3I at 248 nm, DMSO-d6 at 193 and 222 nm and acetone-d6 at 193 nm. The DMSO results are in good agreement with recent photofragment translational spectroscopy results and support a stepwise mechanism for the dissociation of DMSO at both wavelengths.
• Matrix isolation and spectroscopic properties of the methylsulfinyl radical CH3(O)S˙
  作者：Hans Peter Reisenauer、Jarosław Romański、Grzegorz Mlostoń、Peter R. Schreiner

  DOI：10.1039/c3cc45379k

  日期：——

  The atmospherically highly relevant methylsulfinyl radical CH3(O)S was generated thermally under flash pyrolysis conditions and isolated in Ar matrices at 10 K; the allyl radical is a byproduct. CH3(O)S and its D3- and (13)C-isotopologues were characterized through the excellent agreement between experimental and computed IR and UV/Vis spectra.

  大气中高度相关的甲基亚磺酰基CH3（O）S是在快速热解条件下热生成的，并在10 K的Ar矩阵中分离；烯丙基是副产物。CH3（O）S及其D3-和（13）C同位素异构体的特征是通过实验和计算的IR和UV / Vis光谱之间的出色一致性来表征的。