aniline-neon | 156917-90-7

• 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: aniline-neon
• 英文别名: Neon aniline complex
• CAS: 156917-90-7
• 化学式: C₆H₇N*Ne
• 分子量: 113.307
• InChiKey: FYVADDPGDXCABR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  氖气 、 苯胺 以 neat (no solvent, gas phase) 为溶剂， 生成 aniline-neon
  参考文献：
  名称：

  Vibrational predissociation dynamics in the vibronic states of the aniline–neon van der Waals complex: New features revealed by complementary spectroscopic approaches

  摘要：

  We report two independent sets of experimental spectroscopic data which both contain information about the vibrational dynamics occurring in the aniline–neon van der Waals complex in its S1 electronically excited state. The high resolution excitation spectra of the three vibronic bands, 6a01¯, I02¯, and 101¯, of the S1←S0 transition, exhibit lifetime broadening with respect to transitions to the corresponding states in the aniline monomer. The dispersed emission spectra taken under excitation of the same three vibronic bands give access to both the distribution of aniline monomer states produced by vibrational predissociation of the complex and to the rates at which this dynamics proceeds. The overall results are discussed in a consistent way, with emphasis being given to the role of the coupling between the intramolecular and the intermolecular vibrational states. In the case of I02¯ excitation, it is shown that this coupling is reflected in the shape of the van der Waals wavefunction, as accessed through the analysis of the high resolution spectra [M. Becucci, G. Pietraperzia, N. M. Lakin, E. Castellucci, Ph. Bréchignac, Chem. Phys. Lett. 260, 87 (1996).].

  DOI：

  10.1063/1.478869