Benzil ketyl radical | 38719-36-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Benzil ketyl radical
• CAS: 38719-36-7
• 化学式: C₁₄H₁₁O₂
• 分子量: 211.24
• InChiKey: VQKBBOCLDBPKAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  联苯甲酰 以 乙醇 为溶剂， 生成 Benzil ketyl radical
  参考文献：
  名称：

  光化学反应产生的电中性自由基和阴离子自由基的扩散

  摘要：

  通过瞬态光栅（TG）方法研究了酮在酒精溶剂中的光化学反应产生的中间自由基的扩散过程。通过控制酒精溶剂中氢氧化钠（NaOH）的浓度，选择性地生成苯乙酮，苯甲醛，黄酮，二苯甲酮和苯甲醚的电中性基团和阴离子基团。阴离子自由基，中性自由基和母体稳定分子的平移扩散常数（D）可以在相同条件下通过此方法成功地测量。发现中性和阴离子基团的扩散均慢于母体分子。D的值在广泛的溶剂粘度，溶质尺寸和温度范围内，对阴离子基团，中性基团和母体分子进行了详细比较。在任何条件下，带电自由基的D值与中性自由基的D值相似。就自由基的分子间电荷极化率而言，讨论了这种相似性的可能来源。

  DOI：

  10.1039/a706220f

文献信息

• A Laser Flash Photolysis Study on the Reaction Mechanisms of Benzil with Various Amines
  作者：Tetsuo Okutsu、Masaki Ooyama、Hiroshi Hiratsuka、Jun Tsuchiya、Kinichi Obi

  DOI：10.1021/jp991562b

  日期：2000.1.1

  Laser flash photolysis of benzil in the presence of various amines was investigated to determine absolute reaction quantum yield (φr) of benzil ketyl radicals produced from both free triplet benzil and ground state complex. The reaction quantum yields of benzil ketyl radical from free triplet benzil ( ) were 0.31, 0.17, 0.13, 0.08, and ca. 0 for triethylamine (TEA), N,N-diethylaniline, diethylamine

  研究了在各种胺存在下苯偶酰的激光闪光光解，以确定由游离三重态苯偶酰和基态配合物产生的苯偶酰酮基自由基的绝对反应量子产率 (φr)。游离三重态苯偶酰 ( ) 中苯偶氮基自由基的反应量子产率为 0.31、0.17、0.13、0.08 和 ca。0 分别表示三乙胺 (TEA)、N,N-二乙基苯胺、二乙胺、N-乙基苯胺和苯胺。很大程度上取决于苯偶酰可以提取的氢原子的数量。对于所有使用的胺，在基态 ( ) 下形成的络合物的反应量子产率被确定为统一的。这种大的量子产率 (= 1) 可以通过计算的基态复合物的构象来解释。
• A Kinetic Study on the Spin Polarization Switching of Benzil in the Presence of Triethylamine
  作者：Tetsuo Okutsu、Masaki Ooyama、Katsuhiko Tani、Hiroshi Hiratsuka、Akio Kawai、Kinichi Obi

  DOI：10.1021/jp0033768

  日期：2001.4.1

  was explained by the triplet mechanism (TM) and the radical−triplet pair mechanism (RTPM); the absorptive polarized TM signal was generated from the reaction of free triplet benzil with triethylamine, whereas the emissive polarized CIDEP signal was generated through the interaction between triplet benzil and benzil ketyl radical produced from the benzil−triethylamine complex.

  采用时间分辨ESR和瞬态吸收技术研究了苯体系中苄基/三乙胺产生的自由基CIDEP信号的双自旋极化。CIDEP 信号显示出取决于三乙胺浓度的吸收或发射。在低于 10-3 M 三乙胺时观察到发射 CIDEP 信号，而在高于 10-l M 时观察到吸收信号。双 CIDEP 信号由三重态机制 (TM) 和自由基-三重态对机制 (RTPM) 解释；吸收极化 TM 信号是由游离三重态苯和三乙胺的反应产生的，而发射极化 CIDEP 信号是通过三重态苯和苯偶酰-三乙胺复合物产生的苯甲基酮自由基之间的相互作用产生的。
• Dual spin polarization of CIDEP in benzil/quencher systems
  作者：Tetsuo Okutsu、Kouki Yano、Akio Kawai、Kinichi Obi

  DOI：10.1021/j100167a011

  日期：1991.7

  Dual spin polarization of triple benzil was investigated by the time-resolved ESR technique. Spin polarization of triplet benzil showed only absorption in rigid matrices at 77 K. However, the phase of CIDEP signals caused by the triplet mechanism showed absorption or emission depending on the concentration of quenchers at room temperature. Both polarizations were generated through a one-photon absorption process. Absorptive polarized radicals were produced from free benzil, whereas emissive polarized radicals were produced from benzil/quencher complex.
• Time-resolved EPR study on the photochemical reactions of benzil
  作者：Masahiro Mukai、Seigo Yamauchi、Noboru Hirota

  DOI：10.1021/j100187a025

  日期：1992.4

  A time-resolved EPR (TREPR) study on the photochemical reactions of benzil in 2-propanol and benzene-triethylamine (TEA) mixed solvents is reported. The emissive signals observed in 2-propanol are assigned to the benzoyl and benzil ketyl radicals, and the absorptive one observed in benzene-TEA is assigned to the benzil anion radical. The reactions are considered to occur from higher excited triplet (T(n)) states through two-photon processes in 2-propanol but from the lowest excited triplet state through a one-photon process in benzene-TEA. TREPR studies are supplemented by optical studies including measurements of transient absorptions, phosphorescence quenching, and fluorescence quenching, whose results support the conclusion drawn from the EPR results. Possible polarization mechanisms to produce emissive signals are considered in detail. It is shown that the direct T1 --> T(n) excitation does not produce the inversion of the polarization regardless of the signs of the zero-field splitting of the T1 and T(n) states. It is then concluded that the emissive signals are due to the reaction from T(n) produced via the S(n) --> T(n) intersystem crossing process. It is also found that the rise of the chemically induced dynamic electron polarization signal of the ketyl radical in 2-propanol consists of fast and slow components. The time profile of the slow rise component strongly depends on the temperature, the concentration of benzil, the excitation laser power, and the oxygen addition. From the analysis of these dependences it is suggested that the free-pair radical-pair mechanism can account for the main features of the slow polarization.
• Photochemical and free-radical processes in benzil-amine systems. Electron-donor properties of .alpha.-aminoalkyl radicals
  作者：J. C. Scaiano

  DOI：10.1021/j150619a031

  日期：1981.9