| 93041-28-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 93041-28-2
• 化学式: C₁₄H₁₂O
• 分子量: 196.249
• InChiKey: ZJSDDQYZVVNERG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 正戊烷 为溶剂， 生成 cis-1,2-diphenyloxirane
  参考文献：
  名称：

  The Role of Solvent Friction in an Orbital Symmetry Controlled Reaction:  Ring Closure of a Carbonyl Ylide to cis-2,3-Diphenyloxirane

  摘要：

  The dynamics of the orbital symmetry controlled ring closure of the trans-ylide, formed upon the 266 nm photolysis of trans-2,3-diphenyloxirane, to produce cis-2,3-diphenyloxirane is examined in a variety of n-alkane solvents as a function of temperature. An unsuccessful attempt was made to model the kinetics within the theoretical framework developed by Kramers for a one-dimensional reaction coordinate. A model developed by Grote and Hynes that employs a frequency-dependent friction was found to give a significantly better fit to the experimental data. The possibility that a multidimensional reaction coordinate is necessary to describe the reaction dynamics is discussed.

  DOI：

  10.1021/jp9801976
• 作为产物：
  描述：

  cis-1,2-diphenyloxirane 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Picosecond photochemistry of 2,3-diphenyloxiranes: reaction from a vibrationally unrelaxed electronic excited state

  摘要：

  DOI：

  10.1021/ja00338a012