nitrosyl hydride hydrofluoride | 362049-96-5

• 分子结构分类: 有机化合物
• 英文名称: nitrosyl hydride hydrofluoride
• CAS: 362049-96-5
• 化学式: FH*NO
• 分子量: 50.0124
• InChiKey: RHOICPRHXICTHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.29
• 重原子数：
  3.0
• 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：
  39.37
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  nitrosyl hydride hydrofluoride 以 neat (no solvent) 为溶剂， 生成 氢氟酸 、 氧化亚氮
  参考文献：
  名称：

  Fragment state correlations in the dissociation of NO⋅HF(v=1)

  摘要：

  The NO(v,J)-fragment population distributions and recoil energies were measured for the vibrational predissociation of NO⋅HF following excitation of the H–F stretch. Most of the available energy appears in NO vibration and/or HF rotation. There is little recoil momentum. All NO(v,J) fragments are formed with near δ-function recoil kinetic energies, correlated with HF fragments in a single rotational level. Two dissociation channels proceed with similar probability to produce NO(v=0) and NO(v=1). Only two rotational levels of HF are populated. One of the HF rotational states is correlated exclusively with NO(v=0) fragments, the other is paired with NO(v=1) fragments. Constraints on fragment angular momenta as well as energetics appear important for the dissociation dynamics. The presence of significant amounts of vibrationally excited NO fragments, in the absence of observable spectroscopic perturbations, implies that intramolecular vibrational redistribution proceeds as the dimer dissociates. The data support two possibilities for the NO⋅HF dimer bond energy: (1) D0=448±5 cm−1 with coincident pairs of fragments NO(v=0)+HF(J=12) and NO(v=1)+HF(J=8); (2) D0=1769±10 cm−1 with JHF=9 and 2, respectively.

  DOI：

  10.1063/1.463170
• 作为产物：
  描述：

  氢氟酸 、 氧化亚氮 以 gaseous matrix 为溶剂， 生成 nitrosyl hydride hydrofluoride
  参考文献：
  名称：

  开壳NO–HF络合物中的新型磁性相互作用

  摘要：

  所述Ĵ ' = 3/2（F） - Ĵ “ = 1/2（F）的开壳层范德华复杂NO-HF的旋转转变已经使用傅立叶变换光谱仪微波观察。由于NO电子自旋和轨道角动量与N原子核以及H和F原子核都以新颖的分子间磁超精细相互作用耦合，因此跃迁显示出丰富的超精细结构。N超精细耦合揭示了π态简并性分裂为A ′和A ″态，而A ′态的能量较低。

  DOI：

  10.1016/s0009-2614(97)01247-5