| 107145-37-9

• CAS: 107145-37-9
• 化学式: HN
• 分子量: 16.0079
• InChiKey: NUENPMRHRIHXSZ-OUBTZVSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  1.0
• 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：
  32.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  迭氮酸 、 水 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  High‐resolution measurement of the infrared rotation–vibration spectrum of the negative molecular ion ¹⁵NH⁻: Isotopic shifts and equilibrium constants

  摘要：

  A coaxial ion beam/laser beam spectrometer has been used to measure 52 transitions in the fundamental rotation–vibration band of the X 2Π electronic state of the molecular anion 15NH−. Infrared P, Q, and R-branch transitions (2950–3320 cm−1) are excited by a color center laser beam to autodetaching states, and the fast neutral NH is detected. The uncertainty (1 SD) is 0.01 cm−1. The spectroscopic constants returned by a least-squares fit to an effective Hamiltonian have been combined with our previous results on 14NH− to yield equilibrium vibrational constants ωe and ωexe for both isotopes (cm−1): ωe (14NH−)=3191.5±2.1, ωexe (14NH−)=85.6±1.9, ωe (15NH−)=3184.4±2.1, and ωexe (15NH−)=85.2±1.9. There is good agreement with the theoretical calculation for 14NH− by Manz, Zilch, Rosmus, and Werner: ωe=3179, ωexe=89. The electron affinity has been measured: EA(15NH)=0.3761±0.0025 eV.

  DOI：

  10.1063/1.452262