HF - hydrogen | 144336-63-0

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 英文名称: HF - hydrogen
• 英文别名: Molecular hydrogen;hydrofluoride
• CAS: 144336-63-0
• 化学式: FH*H₂
• 分子量: 22.0222
• InChiKey: OSFANLNADOSLTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  HF - hydrogen 以 gaseous matrix 为溶剂， 生成 hydrogen fluoride dimer
  参考文献：
  名称：

  Isotopic substitution of a hydrogen bond: A near infrared study of the intramolecular states in (DF)₂

  摘要：

  High resolution near infrared spectra of the two high frequency intramolecular modes in (DF)2 have been characterized using a slit-jet infrared spectrometer. In total, four pairs of vibration–rotation–tunneling (VRT) bands are observed, corresponding to K=0 and K=1 excitation of both the ν2 (‘‘bound’’) and ν1 (‘‘free’’) intramolecular DF stretching modes. Analysis of the rotationally resolved spectra provides vibrational origins, rotational constants, tunneling splittings and upper state predissociation lifetimes for all four states. The rotational constants indicate that the deuterated hydrogen bond contracts and bends upon intramolecular excitation, analogous to what has been observed for (HF)2. The isotope and K dependence of tunneling splittings for (HF)2 and (DF)2 in both intramolecular modes is interpreted in terms of a semiclassical 1-D tunneling model. High resolution line shape measurements reveal vibrational predissociation broadening in (DF)2: 56(2) and 3(2) MHz for the ν2 (bound) and ν1 (free) intramolecular stretching modes, respectively. This 20-fold mode specific enhancement parallels the ≥30-fold enhancement observed between analogous intramolecular modes of (HF)2, further elucidating the role of nonstatistical predissociation dynamics in such hydrogen bonded clusters.

  DOI：

  10.1063/1.471604
• 作为产物：
  描述：

  氢气 、 氢氟酸 以 gaseous matrix 为溶剂， 生成 HF - hydrogen
  参考文献：
  名称：

  State‐to‐state vibrational predissociation of H₂–HF and D₂–HF. Direct comparisons between theory and experiment

  摘要：

  The optothermal detection method has been used to measure photofragment angular distributions resulting from the vibrational predissociation of both H2–HF and D2–HF. These angular distributions show resolvable structure which can be related to the final rotational state distributions, including the scalar intermolecular rotational correlations. H2–HF dissociates via a predominantly V–R process, while in D2–HF the open D2 vibrational channel is the main depository for the excess energy. The experimental results are compared directly with the recent time-independent close-coupling calculations of Clary [J. Chem. Phys. 96, 90 (1992)] and the time-dependent golden rule calculations of Zhang, Zhang, and Bačić [J. Chem. Phys. 97, 927; 3149 (1992); Chem. Phys. Lett. 194, 313 (1992)]. The fact that these two systems have very different dynamics, while the potential-energy surfaces are the same, is particularly useful in providing new insights into the nature of the coupling responsible for predissociation.

  DOI：

  10.1063/1.464142

文献信息

• FTIR spectra of base -- HF complexes in noble gas matrices
  作者：Lester Andrews

  DOI：10.1016/0022-2860(88)80046-2

  日期：1988.1

  Abstract FTIR matrix isolation studies can provide a wealth of new information on base--HF complexes. In particular, complexes that are difficult to prepare, such as NH 2 F--HF, NH 2 CN--HF and O 3 --HF can be observed in solid matrices. Very weak complexes like H 2 --HF and O 2 --HF require solid neon to minimize matrix effects. Finally, less stable structural arrangements such as CO--HF can be identified

  摘要 FTIR 基质分离研究可以提供大量关于碱-HF 配合物的新信息。特别是难于制备的配合物，如NH 2 F--HF、NH 2 CN--HF和O 3 -HF可以在固体基质中观察到。非常弱的配合物，如 H 2 --HF 和 O 2 --HF 需要固体氖以尽量减少基质效应。最后，稳定性较差的结构排列，如 CO-HF，可以在与更稳定的 OC-HF 复合物的同一矩阵中识别。
• Isolation and Structural Characterization of Eightfold Protonated Octacyanometalates [M(CNH) ₈ ] ⁴⁺ (M=Mo ^IV , W ^IV ) from Superacids
  作者：Malte Sellin、Valérie Marvaud、Moritz Malischewski

  DOI：10.1002/anie.202002366

  日期：2020.6.22

  Octacyanometalates K4[Mo(CN)8] and K4[W(CN)8] are completely protonated in superacidic mixtures of anhydrous hydrogen fluoride and antimony pentafluoride. The resulting hydrogen isocyanide complexes [Mo(CNH)8]4+ [SbF6]−4 and [W(CNH)8]4+ [SbF6]−4 are the first examples of eight‐coordinate homoleptic metal complexes containing hydrogen isocyanide (CNH) ligands. The complexes were crystallographically

  在无水氟化氢和五氟化锑的超酸性混合物中，十氰基金属酸盐K 4 [Mo（CN）8 ]和K 4 [W（CN）8 ]完全质子化。将所得的氢异氰化物配合物[沫（CNH）8 ] 4+ [的SbF 6 ] - 4和[W（CNH）8 ] 4+ [的SbF 6 ] - 4是包含异氰酸氢盐（CNH）配体的八配位均相金属络合物的第一个实例。对该配合物进行了晶体学表征，揭示了具有短N···H····F接触的氢键网络。HF中的低温NMR测量证实，即使在−40°C时，质子交换仍然迅速。质子化时，ν（C≡N）增加约50 cm -1，这与DFT计算一致。
• Minkwitz, Rolf; Bernstein, Dirk; Preut, Hans, Inorganic Chemistry, 1991, vol. 30, # 9, p. 2157 - 2161
  作者：Minkwitz, Rolf、Bernstein, Dirk、Preut, Hans、Sartori, Peter

  DOI：——

  日期：——
• 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.