phenoxy cation | 41071-17-4

• 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: phenoxy cation
• 英文别名: Phenoxy ion；phenyloxylium；Phenoxy-Kation；Cyclohexa-2,5-dien-1-one
• CAS: 41071-17-4
• 化学式: C₆H₅O
• 分子量: 93.1051
• InChiKey: WNKVRTUXIGFGRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  phenoxy cation 、 苯酚 以 正己烷 为溶剂， 生成 2-苯氧基苯酚 、 4-苯氧基苯酚
  参考文献：
  名称：

  Multiphoton ionization of phenol in nonaqueous solutions: characterization of the cation and ion-molecule chemistry

  摘要：

  The phenoxy cation has been generated in polar and nonpolar solutions by two-photon ionization of phenol by using 2.5-ns pulses of 266-nm light. The ions have been characterized by pulsed conductivity (ion mobility) measurements and transient absorption spectroscopy with lambda-(max) = 290-300 nm and an estimated extinction coefficient of 1300 M-1 cm-1. The involvement of the phenoxy ion in ion-molecule chemistry with either neutral solute or solvent molecules has also been observed. The kinetics of these processes as well as a proposed reaction mechanism are presented.

  DOI：

  10.1021/j100166a050
• 作为产物：
  描述：

  苯酚 以 正己烷 为溶剂， 生成 phenoxy cation
  参考文献：
  名称：

  Multiphoton ionization of phenol in nonaqueous solutions: characterization of the cation and ion-molecule chemistry

  摘要：

  The phenoxy cation has been generated in polar and nonpolar solutions by two-photon ionization of phenol by using 2.5-ns pulses of 266-nm light. The ions have been characterized by pulsed conductivity (ion mobility) measurements and transient absorption spectroscopy with lambda-(max) = 290-300 nm and an estimated extinction coefficient of 1300 M-1 cm-1. The involvement of the phenoxy ion in ion-molecule chemistry with either neutral solute or solvent molecules has also been observed. The kinetics of these processes as well as a proposed reaction mechanism are presented.

  DOI：

  10.1021/j100166a050

文献信息

• Photodissociation Dynamics of Nitrobenzene Molecular Ion on a Nanosecond Time Scale
  作者：Wan Goo Hwang、Myung Soo Kim、Joong Chul Choe

  DOI：10.1021/jp9537872

  日期：1996.1.1

  Photodissociation dynamics of nitrobenzene molecular ion has been investigated on a nanosecond time scale by mass-analyzed ion kinetic energy spectrometry. Photodissociation has been found to occur through various reaction channels. Three dissociation channels to C6H5O+, C6H5+, and NO+ have been observed together with a consecutive dissociation to C5H5+ via C6H5O+. The photodissociation rate constant

  质谱分析离子动能谱法已在纳秒级的时间尺度上研究了硝基苯分子离子的光解离动力学。已经发现光解离通过各种反应通道发生。已经观察到三个与C 6 H 5 O +，C 6 H 5 +和NO +的解离通道，以及通过C 6 H 5 O +连续解离为C 5 H 5 +的途径。。已经确定了分子离子的光解离速率常数和每个通道中的动能释放分布。连续反应第二步的速率常数也已经实时确定。已经发现在纳秒时间尺度上与C 6 H 5 O +和NO +的重排过程竞争发生了对C 6 H 5 +的直接键裂解。统计理论已被用来深入了解反应的动力学。
• Infrared multiple-photon dissociation of the nitrobenzene radical cation. A paradigm for competitive reactions
  作者：Thomas H. Osterheld、Tomas Baer、John I. Brauman

  DOI：10.1021/ja00067a049

  日期：1993.7

  The dissociation of nitrobenzene cation displays a variety of surprising and even apparently nonstatistical reaction behaviors. We have used infrared multiple-photon dissociation experiments to further study the reactions of this system. These experiments along with a previous photoelectron photoion coincidence study indicate that, for some products, the nitrobenzene cation dissociates to form an ion-neutral

  硝基苯阳离子的解离表现出各种令人惊讶甚至明显非统计的反应行为。我们已经使用红外多光子解离实验来进一步研究该系统的反应。这些实验以及之前的光电子光离子巧合研究表明，对于某些产品，硝基苯阳离子解离形成离子中性复合物，然后重新结合形成亚硝酸苯基阳离子。显示了涉及统计解离的反应机制来解释实验数据
• Multiphoton ionization of phenol in nonaqueous solutions: characterization of the cation and ion-molecule chemistry
  作者：G. Siuzdak、S. North、J. J. BelBruno

  DOI：10.1021/j100166a050

  日期：1991.6

  The phenoxy cation has been generated in polar and nonpolar solutions by two-photon ionization of phenol by using 2.5-ns pulses of 266-nm light. The ions have been characterized by pulsed conductivity (ion mobility) measurements and transient absorption spectroscopy with lambda-(max) = 290-300 nm and an estimated extinction coefficient of 1300 M-1 cm-1. The involvement of the phenoxy ion in ion-molecule chemistry with either neutral solute or solvent molecules has also been observed. The kinetics of these processes as well as a proposed reaction mechanism are presented.