p-Dinitrobenzol-Monoradikalanion | 34505-33-4

• 英文名称: p-Dinitrobenzol-Monoradikalanion
• 英文别名: p-dinitrobenzene anion radical；p-dinitrobenzene radical anion；p-dinitrobenzene anion；1,4-dinitro-benzene; radical anion；Radikal-Anion v. 1,4-Dinitrobenzol
• CAS: 34505-33-4
• 化学式: C₆H₄N₂O₄
• 分子量: 168.109
• InChiKey: LQXWKXHPUDVESY-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：

  p-Dinitrobenzol-Monoradikalanion 在 二氧化氮 作用下， 以 gas 为溶剂， 生成 对二硝基苯 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  来自电子转移平衡的电子亲和力：A- + B = A + B-

  摘要：

  L'练习曲EST faite倾34层构成，principalement DES硝基苯substitues，脱醌substituees和des分子conjuguees contenant DES atomes D'OXYGENE

  DOI：

  10.1021/ja00302a005
• 作为产物：
  描述：

  对二硝基苯 在 e(-) 作用下， 以 gaseous matrix 为溶剂， 125.0 ℃ 、1.33 kPa 条件下， 生成 p-Dinitrobenzol-Monoradikalanion
  参考文献：
  名称：

  Resonance Electron Capture Rate Constants for Substituted Nitrobenzenes

  摘要：

  We report here a new method for the determination of electron capture (EC) rate constants that utilizes a pulsed electron beam mass spectrometer. The method is first tested by measurements of the known dissociative electron capture rate constants for several halogenated methanes that have been extensively studied by other techniques. The resonance electron capture (REC) rate constants of nitrobenzene (NB) and 23 substituted nitrobenzenes (SNB's) are then determined for the first time at 125 degrees C in 10 Torr of methane buffer gas. The SNB's studied here include several sets of closely related structural isomers whose electron affinities (EA's) have been previously determined. It is shown that the REC rate constants of these compounds bear little systematic relationship with the EA's of these compounds. The REC rate constants of the SNB's are also compared with other previously reported characteristics associated with the negative ionization of these compounds, including their entropies of negative ionization, the lifetimes against autodetachment of their initially formed molecular anions, and the rates of autodetachment from electronically excited states of their molecular anions.

  DOI：

  10.1021/j100065a036

文献信息

• Entropy changes and electron affinities from gas-phase electron-transfer equilibria: A- + B = A + B-
  作者：Swapan Chowdhury、Thomas Heinis、Eric P. Grimsrud、Paul Kebarle

  DOI：10.1021/j100403a037

  日期：1986.6
• Electron affinities of di- and tetracyanoethylene and cyanobenzenes based on measurements of gas-phase electron-transfer equilibria
  作者：Swapan. Chowdhury、Paul. Kebarle

  DOI：10.1021/ja00278a014

  日期：1986.9
• One-electron reduction of nitrobenzenes by .alpha.-hydroxyalkyl radicals via addition/elimination. An example of an organic inner-sphere electron-transfer reaction
  作者：V. Jagannadham、S. Steenken

  DOI：10.1021/ja00334a015

  日期：1984.10
• Jannakoudakis, P. D.; Theodoridou, E., Zeitschrift fur physikalische Chemie (Neue Folge), 1982, vol. 130, p. 167 - 180
  作者：Jannakoudakis, P. D.、Theodoridou, E.

  DOI：——

  日期：——
• Electron affinity of SF₆ and perfluoromethylcyclohexane. The unusual kinetics of electron transfer reactions A⁻+B=A+B⁻, where A=SF₆ or perfluorinated cyclo‐alkanes
  作者：E. P. Grimsrud、S. Chowdhury、P. Kebarle

  DOI：10.1063/1.449468

  日期：1985.8

  Measurements of the equilibria (1): A−+B=A+B− with a pulsed electron high pressure mass spectrometer lead to ΔG01, ΔH01, and ΔS01. Equilibria involving SF6 as A and perfluoromethylcyclohexane C7F14 provide electron affinities E.A.(SF6)=1.05±0.1 eV and E.A.(C7F14)=1.06±0.15 eV. The kinetics of reactions (1) involving the above two compounds were studied. The rate constants kf for SF−6 +B=SF6+B− were found to increase with exothermicity of the reaction. The temperature dependence for kf was determined. B compounds leading to high exothermicities were associated with kf at the collision limit and essentially no temperature dependence. B of progressively lower electron affinity led to kf below the collision limit and negative temperature dependence, while B with the lowest E.A. but still leading to exothermic reaction produced lowest kf with positive temperature dependence. A model is provided explaining the above behavior. The known large change of geometry between SF−6 and SF6 introduces an internal barrier in the reaction coordinate for the reactions (1) involving SF6.