| 61925-25-5

• CAS: 61925-25-5
• 化学式: N₂O₂
• 分子量: 61.9988
• InChiKey: AZLYZRGJCVQKKK-ZDOIIHCHSA-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

• 作为产物：
  描述：

  一氧化氮-15N 以 neat (no solvent, gas phase) 为溶剂， 生成
  参考文献：
  名称：

  Mode‐specific infrared photodissociation of nitric oxide dimers: High‐resolution infrared spectroscopy of (¹⁴NO)₂ and (¹⁵NO)₂

  摘要：

  The high-resolution infrared absorption spectra of the symmetric (ν1) and the antisymmetric NO stretching (ν4) bands of nitric oxide dimer (NO)2 have been measured for 14NO and 15NO in supersonic free jets. The ν1 and ν4 bands exhibit a dramatic difference in linewidth: approximately 200 MHz [full width at half-maximum (FWHM)] for the ν1 band and approximately 5 GHz (FWHM) for the ν4 band. The predissociation lifetimes deduced from the linewidths are in excellent agreement with those reported in the recent time-resolved measurement for 14NO [Casassa et al., J. Chem. Phys. 89, 1966 (1988)]. There is no systematic dependence of the linewidth on the rotational states of (NO)2. Isotope substitution does not influence the linewidths significantly. However, the ν4 band structure of (15NO)2 is very different from that of (14NO)2, a difference that may be explained by a perturbation from a low-lying singlet vibronic state. All of the experimental results obtained to date may be accounted for if it is assumed that the predissociation of (NO)2 is enhanced by an electronically nonadiabatic transition to a repulsive triplet surface. Vibrational potential coupling between the NO stretching and intermolecular modes, particularly an in-plane NO bending mode, appears to play a key role in the mode specificity.

  DOI：

  10.1063/1.458076

文献信息

• Infrared spectra and UHF SCF calculations of HF complexes with NO, (NO)₂, and NO₂
  作者：Steven R. Davis、Lester Andrews、Carl O. Trindle

  DOI：10.1063/1.452490

  日期：1987.6

  HF complexes with nitric oxide and nitrogen dioxide were prepared in argon matrices and studied using IR spectroscopy and unrestricted Hartree–Fock SCF calculations. The results indicate the formation of three different complexes NO--HF, ONNO--HF, and ONO--HF, in which the hydrogen atom of HF is bound to an oxygen atom of the base in each complex. Perturbations in the N–O stretching base submolecule modes were observed in each complex and all were blue shifted with respect to the free base. From the calculations, the unpaired electron was found to be contained in a π antibonding orbital which is in the plane of the NO–HF and ONO–HF complexes.