naphthalene radical cation | 34512-27-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: naphthalene radical cation
• 英文别名: naphthalene cation；naphtaline
• CAS: 34512-27-1
• 化学式: C₁₀H₈
• 分子量: 128.174
• InChiKey: HQSNLLSNYLRJGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.47
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  naphthalene radical cation 在 H 作用下， 生成 Hydron;naphthalene
  参考文献：
  名称：

  Chemical Constraints on Organic Cations in the Interstellar Medium^‡

  摘要：

  DOI：

  10.1021/ja971330v
• 作为产物：
  描述：

  萘 以 various solvent(s) 为溶剂， 生成 naphthalene radical cation
  参考文献：
  名称：

  固体氩气中萘和取代萘阳离子的振动吸收光谱

  摘要：

  DOI：

  10.1021/j100212a023

文献信息

• Reactions of Carbocations with Unsaturated Hydrocarbons:  Electrophilic Alkylation or Hydride Abstraction?
  作者：Herbert Mayr、Gabriele Lang、Armin R. Ofial

  DOI：10.1021/ja0121538

  日期：2002.4.1

  published empirical electrophilicity parameters E of the benzhydrylium ions. Therefore, the linear free energy relationship log k(20 degrees C) = s(E + N) could be employed to characterize the hydride reactivities of the hydrocarbons by the nucleophilicity parameters N and s. The similarity of the slopes s for hydride donors and pi-nucleophiles allows a direct comparison of the reactivities of these different

  二苯甲基阳离子用作参考亲电试剂，以确定不饱和烃的氢化物供体反应性。通过紫外-可见光谱和电导率测量跟踪反应动力学，发现氢化物转移过程的二级速率常数几乎与所用的溶剂或反离子无关。速率常数与先前公布的二苯甲基离子的经验亲电性参数 E 线性相关。因此，线性自由能关系 log k(20 摄氏度) = s(E + N) 可用于通过亲核性参数 N 和 s 来表征烃的氢化物反应性。
• ESR investigation of radical cations formed from aromatics and heteroaromatics adsorbed on molybdenum-aluminum oxide surfaces
  作者：L. Petrakis、P. L. Meyer、Gerald L. Jones

  DOI：10.1021/j100446a019

  日期：1980.5
• C-H Bond Strength of Naphthalene Ion. A Reevaluation Using New Time-Resolved Photodissociation Results
  作者：Yen-Peng Ho、Robert C. Dunbar、Chava Lifshitz

  DOI：10.1021/ja00129a013

  日期：1995.6

  The dissociation rates and branching ratios for naphthalene ion (naphthalene-d(8) ion) have been measured by time-resolved photodissociation at an internal energy of 7.10 (7.13) eV. Dissociation rate constants of 6450 (2360) s(-1) were observed, with acetylene loss being somewhat favored over hydrogen atom and hydrogen molecule losses. Using simple RRKM theory, these results were modeled along with prior information from time-resolved dissociative photoionization and from photoelectron photoion coincidence to give rate-energy curves. Extrapolated to threshold, bond energies of 4.48 eV for H atom loss and 4.41 eV for acetylene loss were derived, in agreement with predictions from independent thermochemical data. The C-H bond energy (4.48 eV) is discussed relative to those for neutral aromatic hydrocarbons (4.8 eV) and benzene ion (3.7 eV).