13C-carbonyl labeled benzoyl radical

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 13C-carbonyl labeled benzoyl radical
• 英文别名: benzoyl radical carbonyl (13)C；[(13)CO]-benzoyl radical
• 化学式: C₇H₅O
• 分子量: 106.105
• InChiKey: LEVJVKGPFAQPOI-PTQBSOBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-phenylethyl radical 、 13C-carbonyl labeled benzoyl radical 以 水 为溶剂， 生成 α-methyldeoxybenzoin
  参考文献：
  名称：

  Theoretical and experimental studies of chemically induced dynamic nuclear polarization kinetics in recombination of radical pairs by the method of switched external magnetic field. II. 13C CIDNP of micellized radical pairs

  摘要：

  The method of C13 chemically induced dynamic nuclear polarization in a switched external magnetic field (SEMF CIDNP) has been applied for the first time in an experimental investigation of micellized radical pairs (RP). Using the examples of three photochemical reactions it has been shown, that SEMF CIDNP allows the investigation of the kinetics of short-lived micellized RPs with high time-resolution in low and intermediate magnetic fields. The experimental kinetics have been analyzed and simulated on the basis of a previously developed theory [Parnachev et al., J. Chem. Phys. 107, 9942 (1997)]. It has been demonstrated that such an analysis provides information on the rates of radical escape from the micelle, on electron relaxation and on the rate of S–T− transitions. The analysis of the estimated rates of S–T− transitions showed that the exchange interaction is essentially anisotropic in the RPs studied.

  DOI：

  10.1063/1.479862
• 作为产物：
  描述：

  [(13)CO]-α,α'-dimethyldeoxybenzoin 在 sodium dodecyl-sulfate 作用下， 以 水 为溶剂， 生成 2-苯基异丙基自由基 、 13C-carbonyl labeled benzoyl radical
  参考文献：
  名称：

  氮氧自由基对十二烷基硫酸钠胶束水溶液中自旋相关自由基对化学诱导动态电子极化的影响

  摘要：

  通过 ESR 和脉冲激光光解技术研究了由自旋相关自由基对 (SCRP) 和稳定的氮氧自由基组成的多自旋系统，位于十二烷基硫酸钠 (SDS) 胶束中。在所有研究的系统中，稳定的氮氧自由基对 SCRP 的 ESR 光谱的形状（特别是它们的反相结构的形状）和 SCRP 的 ESR 信号的衰减动力学没有影响。在 SDS 胶束中，来自分子三联体（SCRP 前体）的非平衡电子自旋态的电子自旋极化转移是产生氮氧自由基电子自旋极化的最有效机制。实验数据还表明，氮氧自由基和 SCRP 自由基很可能均匀分布在胶束相中。

  DOI：

  10.1007/s11172-008-0184-7

文献信息

• Theoretical and experimental studies of chemically induced dynamic nuclear polarization kinetics in recombination of radical pairs by the method of switched external magnetic field. II. 13C CIDNP of micellized radical pairs
  作者：M. V. Fedin、E. G. Bagryanskaya、P. A. Purtov

  DOI：10.1063/1.479862

  日期：1999.9.22

  The method of C13 chemically induced dynamic nuclear polarization in a switched external magnetic field (SEMF CIDNP) has been applied for the first time in an experimental investigation of micellized radical pairs (RP). Using the examples of three photochemical reactions it has been shown, that SEMF CIDNP allows the investigation of the kinetics of short-lived micellized RPs with high time-resolution in low and intermediate magnetic fields. The experimental kinetics have been analyzed and simulated on the basis of a previously developed theory [Parnachev et al., J. Chem. Phys. 107, 9942 (1997)]. It has been demonstrated that such an analysis provides information on the rates of radical escape from the micelle, on electron relaxation and on the rate of S–T− transitions. The analysis of the estimated rates of S–T− transitions showed that the exchange interaction is essentially anisotropic in the RPs studied.
• Effect of nitroxide radicals on chemically induced dynamic electron polarization of spin-correlated radical pairs in aqueous micellar solutions of sodium dodecyl sulfate
  作者：V. R. Gorelik、V. F. Tarasov、S. R. Shakirov、E. G. Bagryanskaya

  DOI：10.1007/s11172-008-0184-7

  日期：2008.7

  studied by ESR and pulse laser photolysis techniques. In all the systems studied, the stable nitroxide radicals exert no effect on the shape of the ESR spectra of the SCRPs (in particular, on the shape of their antiphase structure) and on the decay kinetics of the ESR signal of the SCRPs. In the SDS micelles, the electron spin polarization transfer from the nonequilibrium electron spin states of the

  通过 ESR 和脉冲激光光解技术研究了由自旋相关自由基对 (SCRP) 和稳定的氮氧自由基组成的多自旋系统，位于十二烷基硫酸钠 (SDS) 胶束中。在所有研究的系统中，稳定的氮氧自由基对 SCRP 的 ESR 光谱的形状（特别是它们的反相结构的形状）和 SCRP 的 ESR 信号的衰减动力学没有影响。在 SDS 胶束中，来自分子三联体（SCRP 前体）的非平衡电子自旋态的电子自旋极化转移是产生氮氧自由基电子自旋极化的最有效机制。实验数据还表明，氮氧自由基和 SCRP 自由基很可能均匀分布在胶束相中。