methyl-d3 peroxy radical

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl-d3 peroxy radical
• 化学式: CH₃O₂
• 分子量: 50.0098
• InChiKey: WTFNSXYULBQCQV-FIBGUPNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 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：
  10.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲烷-D4 在 硝酸 作用下， 生成 甲醛-d2 、 trideuterio-methyloxyl 、 methyl-d3 peroxy radical
  参考文献：
  名称：

  Kukui, A. S.; Jungkamp, T. P. W.; Schindler, R. N., Berichte der Bunsen-Gesellschaft, 1995, vol. 99, # 12, p. 1565 - 1567

  摘要：

  DOI：

文献信息

• Kinetic study of the reactions CH3O2+ CH3O2 and CH3O2+ HO2 using molecular modulation spectroscopy
  作者：Michael E. Jenkin、Richard A. Cox、Garry D. Hayman、Lynden J. Whyte

  DOI：10.1039/f29888400913

  日期：——
• A Mechanistic Study of the Reaction of OH with Dimethyl-d6 Sulfide. Direct Observation of Adduct Formation and the Kinetics of the Adduct Reaction with O2
  作者：A. J. Hynes、R. B. Stoker、A. J. Pounds、T. McKay、J. D. Bradshaw、J. M. Nicovich、P. H. Wine

  DOI：10.1021/j100046a024

  日期：1995.11

  A pulsed laser photolysis-pulsed laser-induced fluorescence technique has been employed to study the detailed mechanism for the reaction of OH radicals with deuterated dimethyl sulfide [(CD3)(2)S, DMS-d(6)]. Equilibration of pulsed laser-generated OH with a (CD3)(2)S-OH adduct has been directly observed, thus confirming the existence of this controversial weakly bound species. Elementary rate coefficients for adduct formation and decomposition and, therefore, the equilibrium constant for OH + (CD3)(2)S <-> (CD3)(2)SOH have been determined as a function of temperature. From the temperature dependence of the equilibrium constant over the relatively narrow temperature range 250-267 K, a 258 K adduct bond strength of 13.0 +/- 3.3 kcal mol(-1) has been obtained (second law method). Alternatively, an entropy change calculated using standard statistical mechanical methods and ab initio theory (for determining the (CD3)(2)S and (CD3)(2)SOH structures) has been employed in conjunction with an experimental value for the equilibrium constant at a single temperature to obtain a 258 K adduct bond strength of 10.1. +/- 1.1 kcal mol(-1) (third law method). Experiments in the presence of O-2 confirm the previously reported dependence of the OH + DMS-d(6) rate coefficient on the O-2 partial pressure and are consistent with the previously proposed four-step mechanism involving hydrogen abstraction, addition of OH to the sulfur atom, and adduct decomposition in competition with an adduct + O-2 reaction [Hynes et al. J. Phys. Chem. 1986, 90, 4148]. The rate coefficient for the adduct + Oz reaction is found to be (8 +/- 3) x 10(-13) cm(3) molecule(-1) s(-1) independent of pressure (100-700 Torr of N-2) and temperature (250-300 K).
• Kukui, A. S.; Jungkamp, T. P. W.; Schindler, R. N., Berichte der Bunsen-Gesellschaft, 1995, vol. 99, # 12, p. 1565 - 1567
  作者：Kukui, A. S.、Jungkamp, T. P. W.、Schindler, R. N.

  DOI：——

  日期：——