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| 80004-15-5

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
80004-15-5
化学式
C28H51N2O5
mdl
——
分子量
495.723
InChiKey
DBAMIAXJUBUZGK-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.5
  • 重原子数:
    35
  • 可旋转键数:
    13
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.93
  • 拓扑面积:
    68.9
  • 氢给体数:
    1
  • 氢受体数:
    6

反应信息

  • 作为产物:
    参考文献:
    名称:
    An electron spin polarization study of the interaction of photoexcited triplet molecules with mono- and polynitroxyl stable free radicals
    摘要:
    Time-resolved electron spin resonance (TR ESR) has been used to investigate the chemically induced dynamic electron polarization (CIDEP) generated by the interaction of stable free radicals with the triplet states of benzophenone, benzil, and 2-acetylnaphthalene. The stable radicals were mono-, di-, tri-, and tetranitroxyl free radicals possessing the 2,2,6,6-tetramethylpiperidine-N-oxyl moiety. All of the stable radical systems investigated were found to be emissively polarized by interaction with the triplet states, and the phase of polarization was independent of the sign of zero-field splitting (D) of the interacting triplet molecule. Possible and likely mechanisms of polarization transfer (creation) resulting from the interaction of photoexcited triplet molecules with nitroxyls in the strong electron exchange are discussed. The emissive CIDEP of nitroxyls observed in the interactions with triplet benzil, which has D > 0, provides strong support for the operation of the radical-triplet pair mechanism. Within the time scale of TR ESR experiments(approximately 10(-7)-10(-6) s) no significant variation in the shape of the CIDEP spectra of the nitroxyls was observed, either in viscous media or in micelles. It is concluded that intramolecular spin exchange (or conformational change) of polynitroxyls occurs much faster than the time resolution of the experiment.
    DOI:
    10.1021/j100108a007
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文献信息

  • An electron spin polarization study of the interaction of photoexcited triplet molecules with mono- and polynitroxyl stable free radicals
    作者:Nicholas J. Turro、Igor V. Khudyakov、Stefan H. Bossmann、David W. Dwyer
    DOI:10.1021/j100108a007
    日期:1993.2
    Time-resolved electron spin resonance (TR ESR) has been used to investigate the chemically induced dynamic electron polarization (CIDEP) generated by the interaction of stable free radicals with the triplet states of benzophenone, benzil, and 2-acetylnaphthalene. The stable radicals were mono-, di-, tri-, and tetranitroxyl free radicals possessing the 2,2,6,6-tetramethylpiperidine-N-oxyl moiety. All of the stable radical systems investigated were found to be emissively polarized by interaction with the triplet states, and the phase of polarization was independent of the sign of zero-field splitting (D) of the interacting triplet molecule. Possible and likely mechanisms of polarization transfer (creation) resulting from the interaction of photoexcited triplet molecules with nitroxyls in the strong electron exchange are discussed. The emissive CIDEP of nitroxyls observed in the interactions with triplet benzil, which has D > 0, provides strong support for the operation of the radical-triplet pair mechanism. Within the time scale of TR ESR experiments(approximately 10(-7)-10(-6) s) no significant variation in the shape of the CIDEP spectra of the nitroxyls was observed, either in viscous media or in micelles. It is concluded that intramolecular spin exchange (or conformational change) of polynitroxyls occurs much faster than the time resolution of the experiment.
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