Diazirinylradikal

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: Diazirinylradikal
• 化学式: CHN₂
• 分子量: 41.0323
• InChiKey: AEJQURQRTXZDDT-UHFFFAOYSA-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：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氯二溴甲烷 在 argon buffer gas 作用下， 生成 Diazirinylradikal
  参考文献：
  名称：

  Methylidyne + nitrogen .dblarw. HCN2: kinetic study of the addition channel from 300 to 1100 K

  摘要：

  The reaction CH + N2 reversible HCN2 has been studied using laser-induced-fluorescence detection of CH from 298 to 1075 K at 100 Torr total pressure. The experimental rate coefficient is fit by k = 44.0 x T-5.3 cm3 s-1 exp(-664.6/7). The pressure dependence was measured at 750 K, and the observed rate coefficient shows an increase from (3.2 +/- 1.8) x 10(-15) cm3 s-1 at 25 Torr to (8.0 +/- 1.8) x 10(-15) cm3 s-1 at 100 Torr. Transition-state-theory modeling indicates that recent calculations of the structure of HCN2 [Manaa, M. R.; Yarkony, D. R. Chem. Phys. Lett. 1992,188, 352; Martin, J. M. L.; Taylor, P. R. Chem. Phys. Lett. 1993, 209, 143], which is datively bonded and stabilized by approximately 29 kcal mol-1, are consistent with the data.

  DOI：

  10.1021/j100149a030

文献信息

• Reactions of methylene with methylene and methyl in methane and xenon matrices
  作者：Debasis Bhattacharya、John E. Willard

  DOI：10.1021/j100395a026

  日期：1982.3
• Methylidyne + nitrogen .dblarw. HCN2: kinetic study of the addition channel from 300 to 1100 K
  作者：Laura J. Medhurst、Nancy L. Garland、H. H. Nelson

  DOI：10.1021/j100149a030

  日期：1993.11

  The reaction CH + N2 reversible HCN2 has been studied using laser-induced-fluorescence detection of CH from 298 to 1075 K at 100 Torr total pressure. The experimental rate coefficient is fit by k = 44.0 x T-5.3 cm3 s-1 exp(-664.6/7). The pressure dependence was measured at 750 K, and the observed rate coefficient shows an increase from (3.2 +/- 1.8) x 10(-15) cm3 s-1 at 25 Torr to (8.0 +/- 1.8) x 10(-15) cm3 s-1 at 100 Torr. Transition-state-theory modeling indicates that recent calculations of the structure of HCN2 [Manaa, M. R.; Yarkony, D. R. Chem. Phys. Lett. 1992,188, 352; Martin, J. M. L.; Taylor, P. R. Chem. Phys. Lett. 1993, 209, 143], which is datively bonded and stabilized by approximately 29 kcal mol-1, are consistent with the data.