1,2-dihydropyrene radical | 14314-95-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1,2-dihydropyrene radical
• 英文别名: pyrene monohydro radical；1-Hydropyrenyl radical；1-Hydro-1-pyrenyl-Radikal
• CAS: 14314-95-5；149296-29-7
• 化学式: C₁₆H₁₁
• 分子量: 203.263
• InChiKey: NHIRADFIYLKDHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  芘 在 silica gel 作用下， 以 甲醇 为溶剂， 生成 1,2-dihydropyrene radical
  参考文献：
  名称：

  Surface Chemistry Induced by High Energy Radiation in Silica of Small Particle Structures

  摘要：

  Spectroscopic techniques are used to investigate energy transfer and radiation-induced reactions on the surfaces of particulate silicas, Upon subjection to high energy radiation, hydrogen atoms are produced with significant yields in all silica samples pretreated at 150 degrees C, for an example, G(H) = 4.2 in silica gel Davisil 60. Subsequent hydrogen addition to aromatic adsorbates such as pyrene, N,N-dimethylaniline, and methyl viologen (MV2+) proceeds on the surface in competition with the hydrogen dimerization, leading to the formation of their ii adducts. Hydrogen scavenging studies revealed that such addition reactions are heterogeneous in porous silica gel with contributions from a fast intrapore reaction within several nanoseconds and a much slower diffusion influenced interpore process over many microseconds. The efficient capture of H atoms by pyrene at a small percentage of surface coverage suggests that hydrogen is produced at the specific sites where pyrene adsorbs. Electron scavenging by CHCl3, Cd2+, and MV2+ leads to a suppression of II addition and an enhanced positive charge transfer to pyrene. Pretreatment of silica samples al 600 degrees C gives rise to increased ionic products of aromatic adsorbates, concomitant with decreased hydrogen production. These experimental observations are understood in terms of an exciton model. By comparison with the electronic processes in bulk. silica materials, it is shown that surface plays a major role in the relaxation of excitation and the activation of adsorbate chemistry.

  DOI：

  10.1021/jp971102n

文献信息

• Denisov, Russian Journal of Physical Chemistry, 1996, vol. 70, # 2, p. 238 - 241
  作者：Denisov

  DOI：——

  日期：——