[13C]亚甲基 | 57473-48-0

• 中文名称: [13C]亚甲基
• 英文名称: <13C>methylene
• CAS: 57473-48-0
• 化学式: CH₂
• 分子量: 15.0159
• InChiKey: HZVOZRGWRWCICA-OUBTZVSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.33
• 重原子数：
  1.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  乙烯 、 [13C]亚甲基 30.0 ℃ 、4.67 kPa 条件下， 反应 20.0h， 生成 丙烯-1-13C 、 propene-[3-13C] 、 [13C]环丙烷 、 丙烯-2-13C
  参考文献：
  名称：

  Doering, W. Von E.; Zhao, Da-Chuan, Journal of the American Chemical Society, 1995, vol. 117, # 12, p. 3432 - 3437

  摘要：

  DOI：
• 作为产物：
  描述：

  ketene 以 gas 为溶剂， 生成 一氧化碳 、 [13C]亚甲基
  参考文献：
  名称：

  Kinetics of intramolecular carbon atom exchange in ketene

  摘要：

  Intramolecular carbon atom exchange in highly vibrationally excited ketene was studied by monitoring the carbon monoxide fragments (12CO and 13CO ) from the photodissociation of 12CH213CO and 13CH212CO. Two experimental techniques were employed. In one set of experiments the IR transient absorptions of 12CO and 13CO were measured following pulsed excimer excitation of ketene 13C isotopomers, giving carbon atom exchange yields at 351 and 308 nm in a low pressure gas cell. In the other set of experiments, jet-cooled ketene 13C isotopomers were excited with tunable near-UV radiation, and the CO products were detected by monitoring their VUV laser-induced fluorescence. Carbon atom exchange yields were measured for energies extending from below the triplet decomposition threshold (CH2CO→CH2(X 3B1)+CO(X 1Σ+)) to about 4000 cm−1 above the singlet threshold (CH2CO→CH2(a 1A1)+CO(X 1Σ+)). The exchange yields range from 4 to 19%, and the energy dependence of the yield exhibits pronounced structure, with maxima at the triplet and singlet decomposition thresholds. Kinetic measurements of the appearance of the CO products were also performed. The time constant for the appearance of the exchanged CO (e.g., 13CO from 13CH212CO ) is significantly longer than that for the direct CO fragment (e.g., 12CO from 13CH212CO ). All the experimental observations are consistent with a simple reaction mechanism involving ketene isomerization, 13CH212CO⇄12CH213CO, and dissociation, 13CH212CO→13CH2+12CO and 12CH213CO→12CH2+13CO. The isomerization rate constant was determined by analyzing the CO kinetics and the carbon atom exchange yields in terms of the simple isomerization mechanism. A fit of the energy dependence of the isomerization rate constant to the results of tunneling-corrected Rice–Ramsberger–Kassel–Marcus (RRKM) calculations gave the threshold (28360±60 cm−1 ) for the isomerization process.

  DOI：

  10.1063/1.460764