Radikal aus Dimethylsulfid | 31533-72-9

• 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: Radikal aus Dimethylsulfid
• 英文别名: methylsulfanyl-methyl；methylthiomethyl radical
• CAS: 31533-72-9
• 化学式: C₂H₅S
• 分子量: 61.1277
• InChiKey: HLVMZRXHDRXSJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Radikal aus Dimethylsulfid 在 氧气 作用下， 以 gaseous matrix 为溶剂， 生成 methyl thiomethylen peroxy radical
  参考文献：
  名称：

  二甲基硫的大气化学：CH3SCH2和CH3SCH2O2自由基的紫外光谱和自反应动力学以及CH3SCH2 + O2反应的动力学。CH3SCH2O2和CH3SCH2O2 + NO。CH3SCH2O + NO2

  摘要：

  A pulse radiolysis technique has been used to measure the UV spectra of CH3SCH2 and CH3SCH2O2 radicals over the range 225-350 nm. At 285 nm, sigma(CH3SCH2) = (9.8 +/- 1.7) x 10(-18); at 250 nm, sigma(CH3SCH2O2) = (4.3 +/- 0.7) x 10(-18) cm2 molecule-1. Observed self-reaction rate constants, defined as -d[CH3SCH2]/dt = 2k6[CH3SCH2]2 and -d[CH3sCH2O2[/dt = 2k7obs[CH3SCH2O2]2, were k6 = (3.0 +/- 0.6) x 10(-11) and k7obs. = (7.9 +/- 1.4) x 10(-12) cm3 molecule-1 s-1. Errors are statistical (2 standard deviations) plus our estimate of potential systematic uncertainty (15%). A rate constant, k2 = (5.7 +/- 0.4) X 10(-12) cm3 molecule-1 S-1, was derived for the addition reaction CH3SCH2 + O2 --> CH3SCH2O2. A rate constant, k3 = (1.9 +/- 0.6) x 10(-11) cm3 molecule-1 s-1, is reported for the reaction of CH3SCH2O2 radicals with NO, producing NO2. Errors for k2 and k3 are 2 standard deviations. Results are discussed with respect to the atmospheric chemistry of dimethyl sulfide.

  DOI：

  10.1021/j100134a013
• 作为产物：
  描述：

  dimethyl sulfide radical cation 在 水 作用下， 生成 Radikal aus Dimethylsulfid
  参考文献：
  名称：

  Moenig; Goslich; Asmus, Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics, 1986, vol. 90, # 2, p. 115 - 121

  摘要：

  DOI：

文献信息

• Rate coefficients for the gas-phase reaction of OH radicals with dimethyl sulfide: temperature and O₂partial pressure dependence
  作者：Mihaela Albu、Ian Barnes、Karl H. Becker、Iulia Patroescu-Klotz、Raluca Mocanu、Thorsten Benter

  DOI：10.1039/b512536g

  日期：——

  coefficients for the gas-phase reaction of hydroxyl (OH) radicals with dimethyl sulfide (CH(3)SCH(3), DMS) have been determined using a relative rate technique. The experiments were performed under different conditions of temperature (250-299 K) and O(2) partial pressure (approximately 0 Torr O(2)-380 Torr O(2)), at a total pressure of 760 Torr bath gas (N(2) + O(2)), in a 336 l reaction chamber, using long path

  已使用相对速率技术确定了羟基（OH）自由基与二甲基硫醚（CH（3）SCH（3），DMS）气相反应的速率系数。实验是在不同的温度（250-299 K）和O（2）分压（大约0 Torr O（2）-380 Torr O（2））的条件下进行的，总压力为760 Torr浴气体（N （2）+ O（2）），在336 l反应室内，使用长途原位傅里叶变换（FTIR）吸收光谱法监测DMS和参考化合物（乙烯，丙烯和2-甲基丙烯）的消失率。OH是由H（2）O（2）的光解产生的。以下Arrhenius表达式充分描述了速率系数随温度的变化（单位为cm（3）分子（-1）s（-1））：k =（1.56 +/- 0.20）x 10（-12）exp [ （369 +/- 27）/ T]，大约为0 r O（2）；（1.31 +/- 0.08）x 10（-14）exp [（1910 +/- 69）/ T]，适用于155 Torr
• Amatore, C.; Bayachou, M.; Bontejengout, F., Bulletin de la Societe Chimique de France, 1993, vol. 130, # 3, p. 371 - 381
  作者：Amatore, C.、Bayachou, M.、Bontejengout, F.、Verpeaux, J. N.

  DOI：——

  日期：——
• Temperature-Dependent Kinetics Studies of the Reactions Br(2P3/2) + CH3SCH3 .dblarw. CH3SCH2 + HBr. Heat of Formation of the CH3SCH2 Radical
  作者：A. Jefferson、J. M. Nicovich、P. H. Wine

  DOI：10.1021/j100080a006

  日期：1994.7

  Time-resolved resonance fluorescence detection of Br(P-2(3/2)) atom disappearance or appearance following 266-nm laser flash photolysis of CF2Br2/CH3SCH3/H-2/N-2 and Cl2CO/CH3SCH3/HBr/H-2/N-2 mixtures has been employed to study the kinetics of the reactions Br(P-2(3/2)) + CH3SCH3 <----> HBr + CH3SCH2 (1,-1) as a function of temperature over the range 386-604 K. Arrhenius expressions in units of cm(3) molecule(-1) s(-1) which describe the results are k(1) = (9.0 +/- 2.9) X 10(-11) exp[(-2386 +/- 151)/T]} and k(-1) = (8.6 +/- 2.5) X 10(-13) exp[(836 +/- 140)/T]}; errors are 2 sigma and represent precision only. To our knowledge, these are the first kinetic data reported for each of the two reactions studied. Second and third law analyses of the equilibrium data for reactions 1 and -1 have been employed to obtain the following enthalpies of reaction in units of kcal mol(-1): Delta H-298 = 6.11 +/- 1.37 and Delta H-0 = 5.37 +/- 1.38. Combining the above enthalpies of reaction with the well-known heats of formation of Br, HBr, and CH3SCH3 gives the following heats of formation of the CH3SCH2 radical in units of kcal mol(-1): Delta H-f,H-298 = 32.7 +/- 1.4 and Delta H-f,H-0,o = 35.3 +/- 1.4; errors are 2 sigma and represent estimates of absolute accuracy. The C-H bond dissociation energy in CH3SCH3 obtained from our data, 93.7 +/- 1.4 kcal mol(-1) at 298 K and 92.0 +/- 1.4 kcal mol(-1) at 0 K, agrees well with a recent molecular beam photofragmentation study but is 3 kcal mol(-1) lower than the value obtained from an iodination kinetics study.
• Moenig; Goslich; Asmus, Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics, 1986, vol. 90, # 2, p. 115 - 121
  作者：Moenig、Goslich、Asmus

  DOI：——

  日期：——
• Atmospheric chemistry of dimethyl sulfide: UV spectra and self-reaction kinetics of CH3SCH2 and CH3SCH2O2 radicals and kinetics of the reactions CH3SCH2 + O2 .fwdarw. CH3SCH2O2 and CH3SCH2O2 + NO .fwdarw. CH3SCH2O + NO2
  作者：Timothy J. Wallington、Thomas Ellermann、Ole J. Nielsen

  DOI：10.1021/j100134a013

  日期：1993.8

  A pulse radiolysis technique has been used to measure the UV spectra of CH3SCH2 and CH3SCH2O2 radicals over the range 225-350 nm. At 285 nm, sigma(CH3SCH2) = (9.8 +/- 1.7) x 10(-18); at 250 nm, sigma(CH3SCH2O2) = (4.3 +/- 0.7) x 10(-18) cm2 molecule-1. Observed self-reaction rate constants, defined as -d[CH3SCH2]/dt = 2k6[CH3SCH2]2 and -d[CH3sCH2O2[/dt = 2k7obs[CH3SCH2O2]2, were k6 = (3.0 +/- 0.6) x 10(-11) and k7obs. = (7.9 +/- 1.4) x 10(-12) cm3 molecule-1 s-1. Errors are statistical (2 standard deviations) plus our estimate of potential systematic uncertainty (15%). A rate constant, k2 = (5.7 +/- 0.4) X 10(-12) cm3 molecule-1 S-1, was derived for the addition reaction CH3SCH2 + O2 --> CH3SCH2O2. A rate constant, k3 = (1.9 +/- 0.6) x 10(-11) cm3 molecule-1 s-1, is reported for the reaction of CH3SCH2O2 radicals with NO, producing NO2. Errors for k2 and k3 are 2 standard deviations. Results are discussed with respect to the atmospheric chemistry of dimethyl sulfide.