| 123416-69-3

• 分子结构分类: 有机化合物 - 乙炔化物
• CAS: 123416-69-3
• 化学式: C₃H₃N
• 分子量: 53.0635
• InChiKey: FFSKHRBWXWGJEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,4'-二甲基-反-二苯乙烯 、 丙烯腈 生成 、 radical cation of 4,4'-dimethyl-trans-stilbene
  参考文献：
  名称：

  缺电子烯烃在反式二苯乙烯S1扩散猝灭中电子转移固有速率的自由能依赖性

  摘要：

  The quenching of the first excited singlet states of trans-stilbene and 4,4'-dimethyl-trans-stilbene by acrylonitrile, fumaronitrile, and tetracyanoethylene has been examined by picosecond laser spectroscopy. The intrinsic rate constant of electron transfer is separated from the diffusion rate constant by applying the Collins and Kimball formalism for time-dependent rate constants. The intrinsic rates of electron transfer are correlated with the free energy changes for electron transfer, and it is found that the correlation does not follow the predictions of Marcus' adiabatic electron-transfer theory.

  DOI：

  10.1021/j100162a033