hydrogen cyanide compound with dinitrogen (1:1) | 151567-39-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: hydrogen cyanide compound with dinitrogen (1:1)
• CAS: 151567-39-4
• 化学式: CHN*N₂
• 分子量: 55.039
• InChiKey: OFZDGBCRKZIDBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.17
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  氢氰酸 、 氮 以 neat (no solvent, gas phase) 为溶剂， 生成 hydrogen cyanide compound with dinitrogen (1:1)
  参考文献：
  名称：

  Sub‐Doppler resolution infrared spectra of the isoelectronic pair: N₂–HCN and OC–HCN

  摘要：

  Sub-Doppler resolution infrared spectra have been obtained for the ν1 bands of N2 –HCN and OC–HCN using the opto-thermal detection method, from which accurate ground and excited state molecular constants are determined. Vibrational predissociation lifetimes are estimated from the homogeneous broadening of the observed transitions, giving lifetimes of 80 and 2.6 ns for N2 –HCN and OC–HCN, respectively. These lifetimes are considerably longer than those obtained previously for N2 –HF and OC–HF. This difference can be understood in terms of the strength of the coupling between the intra- and intermolecular motions, which is also reflected in the vibrational frequency shift associated with complex formation.

  DOI：

  10.1063/1.455178