nitrogen-hydrogen fluoride adduct | 150147-91-4

• 分子结构分类: 无机化合物
• 英文名称: nitrogen-hydrogen fluoride adduct
• 英文别名: N2-hydrogen fluoride complex；Molecular nitrogen;hydrofluoride
• CAS: 150147-91-4
• 化学式: FH*N₂
• 分子量: 48.0197
• InChiKey: OJEOJDCACCMHBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.18
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氢氟酸 、 氮 以 gaseous matrix 为溶剂， 生成 nitrogen-hydrogen fluoride adduct
  参考文献：
  名称：

  High sensitivity, high‐resolution IR laser spectroscopy in slit supersonic jets: Application to N₂HF ν₁and ν₅+ν₁−ν₅

  摘要：

  A difference frequency IR spectrometer is combined with a slit supersonic expansion for high-resolution (≤50 MHz FWHM) direct absorption investigations of jet-cooled species. The 1.25 cm long nozzle provides a long path length and high densities suitable for synthesis and observation of van der Waals clusters, with a gradual spatial temperature gradient that permits experimental control of low frequency vibrational populations. Due to collisional quenching of velocity distributions, absorption linewidths are reduced and peak absorbance increased five- to sevenfold compared to pinhole expansions. Minimum detectable concentrations of HF containing complexes are 2×109 molecules/cm3/quantum state in a 2.5 cm path length. The combination of high sensitivity, sub-Doppler resolution, long path lengths, and temperature control make direct absorption in slit nozzle expansions a powerful and general technique for high-resolution study of jet-cooled species. The spectometer is used to obtain the near-infrared spectrum of N2HF. The ν1 (HF stretch) fundamental is observed at 3918.2434(2) cm−1, red shifted by 43.1795(2) cm−1 from the HF origin. In the warmer regions of the expansion close to the nozzle the ν5+ν1−ν5 Π←Π hot band is also observed, blue shifted by 2.7160(4) from the ν1 fundamental. Rotational analysis of these spectra reveals changes in vibrationally averaged molecular geometries upon excitation that are consistent with a near linear equilibrium geometry. The ν5 (N2 bend) frequency is estimated at 85±20 cm−1, based on the relative intensities of the two bands and on an analysis of the l doubling. The linewidths of the N2HF transitions show no increase over the HF monomer and are limited by instrumental resolution to 50 MHz FWHM; the lifetime of the upper level is therefore at least ≥3 ns.

  DOI：

  10.1063/1.452026

文献信息

• Infrared spectra of the very weak H₂‐‐HF and O₂‐‐HF complexes in solid neon
  作者：Rodney D. Hunt、Lester Andrews

  DOI：10.1063/1.451934

  日期：1987.4

  Very weak, hydrogen bonded complexes of molecular hydrogen and oxygen with HF have been prepared by condensing the neon diluted reagents at 4–5 K. Infrared spectra of the H2--HF complex revealed a νs(HF) mode at 3938 cm−1 and νc(H2) mode at 4155 cm−1 which are red shifted from isolated molecule values in agreement with theoretical predictions. Increasing the HF concentration produced a 1:2 complex, H2–(HF)2. Similar experimental results were obtained for molecular oxygen complexes using HF and DF; the oxygen fundamental in this complex, however, exhibited a 6 cm−1 blue shift. Spectra of these complexes in argon matrices showed that argon is not an effectively inert medium for very weak complexes where interaction with the solid argon environment is competitive with the H2–HF and O2–HF interactions.
• Infrared spectra of HF complexes with methane, silane, and germane
  作者：Steven R. Davis、Lester Andrews

  DOI：10.1063/1.451932

  日期：1987.4

  HF complexes with methane, silane, and germane were prepared in noble gas matrices and studied using infrared spectroscopy and Hartree–Fock (SCF) calculations. The spectra indicate that two types of 1:1 complexes were formed, a normal one in which the hydrogen of HF is interacting with one hydrogen of silane or germane, and a reverse complex in which the fluorine of HF is interacting with one hydrogen atom of methane. The IR inactive symmetric C–H stretch in CH4 was observed in the CH4--FH complex as a weak band at 2914 cm−1. In the silane--HF and germane--HF complexes, the Si–H and Ge–H stretches were perturbed approximately 50 cm−1 to higher energy relative to the antisymmetric stretch ν3 in each parent molecule, but the ν1 modes were masked by the strong ν3 parent bands. Higher order 1:2 (AH4:HF) complexes were also observed and support the normal or reverse-type geometry of the 1:1 complexes.
• FTIR spectra of water–hydrogen fluoride complexes in solid argon. Evidence for inversion doubling in the HF librational modes of H₂O– –HF
  作者：Lester Andrews、Gary L. Johnson

  DOI：10.1063/1.446286

  日期：1983.10.15

  Co-condensation of dilute Ar/HF and Ar/H2O samples at 12 K produces a number of sharp new infrared absorptions. The major species, which exhibits a strong 3554.7 cm−1 band and two quartets beginning at 753.1 and 635.6 cm−1, is identified as H2O– –HF. Isotopic substitution in the base submolecule changes the splitting in the latter multiplets and provides evidence for inversion doubling of the H–F librational modes in the H2O– –HF complex. The reverse complex HF– –HOH, identified at 3915.5 cm−1, exhibits a stronger interaction when HOH is replaced by DOD. Two H–F stretching fundamentals, which show small D2O shifts, increased markedly on sample warming and are assigned to the 1:2 complex H2O– –HF– –HF with an open structure.