iodobenzene cation | 38406-85-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: iodobenzene cation
• CAS: 38406-85-8
• 化学式: C₆H₅I
• 分子量: 204.01
• InChiKey: LDARQYPMXUQRIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  7
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  iodobenzene cation 以 gas 为溶剂， 生成 phenylium
  参考文献：
  名称：

  随时间变化的质谱图和分解图。7.碘苯的时间分辨光电离质谱。形成苯基阳离子的热

  摘要：

  DOI：

  10.1021/j100401a040
• 作为产物：
  描述：

  碘苯 生成 iodobenzene cation
  参考文献：
  名称：

  通过两激光光解离技术确定的离子的振动光谱和光解离特性

  摘要：

  DOI：

  10.1021/j100242a036

文献信息

• Electron transfer from aromatic compounds to phenyliodinium and diphenylsulfinium radical cations
  作者：Y. Yagci、W. Schnabel、A. Wilpert、J. Bendig

  DOI：10.1039/ft9949000287

  日期：——

  Phenyliodinium (I˙+) and diphenylsulfinium radical cations (II˙+) have been generated by flash photolysis (λinc= 347 nm) of diphenyliodonium ions (I+) and diphenyl (4-phenylthiophenyl) sulfonium ions (II+) in acetonitrile solutions at room temperature. I˙+ and II˙+ were found to undergo electron-transfer reactions with benzene derivatives resulting in the formation of radical cations of the aromatic compounds. A study involving 25 compounds including various methyl- and methoxy-benzenes, biphenyl, phenol and cresols revealed that electron transfer is independent of the ionization energy Ei provided that the rates are encounter-controlled. This applies to cases where Ei does not exceed a critical value: Ei, crit≈ 820 kJ mol–1(I˙+) and 780 kJ mol–1(II˙+). Bimolecular rate constants decrease with increasing Ei in the case of aromatic compounds having ionization energies exceeding the critical values. A Marcus-inverted region was not detected.

  苯碘鎓 (I˙+) 和二苯硫鎓自由基阳离子 (II˙+) 是通过在室温下对二苯碘鎓离子 (I+) 和二苯 (4-苯基硫苯基) 硫鎓离子 (II+) 的闪光光解 (λinc= 347 nm) 在乙腈溶液中生成的。研究发现 I˙+ 和 II˙+ 与苯衍生物发生电子转移反应，形成芳香化合物的自由基阳离子。一项涉及 25 种化合物的研究，包括各种甲基和甲氧基苯、联苯、酚和克雷索尔，揭示了在遭遇控制速率的前提下，电子转移与电离能 (Ei) 是无关的。这适用于 Ei 不超过临界值的情况：Ei, crit≈ 820 kJ mol–1 (I˙+) 和 780 kJ mol–1 (II˙+)。对于电离能超过临界值的芳香化合物，双分子反应速率常数随着 Ei 的增加而减小。未检测到马库斯反转区。
• Thermal kinetics in small systems. II. Generalized Arrhenius plots with applications to the dissociation of benzene and substituted‐benzene cations
  作者：Cornelius E. Klots

  DOI：10.1063/1.458889

  日期：1990.8.15

  Rate constants for the dissociation of isolated benzene and substituted-benzene cations are analyzed. In the first section Arrhenius activation energies are deduced. A primitive version of the adiabatic channel model is then used to reduce these activation energies to their values at zero Kelvin. A value for the heat of formation at that temperature of the C6H+5 ion equal to 1130 kJ/mol is reported. Attention is drawn to a remarkable constancy (and also two anomalies) in the frequency factors for these reactions. The predictive capability of the adiabatic channel model is then examined. It is found to yield kinetic isotope effects in good agreement with experiment.
• One-photon infrared photodissociation of polyatomic ions in a fast beam
  作者：M. J. Coggiola、P. C. Cosby、H. Helm、J. R. Peterson、Robert C. Dunbar

  DOI：10.1021/j100295a030

  日期：1987.5