boranylfluoronium | 34502-81-3

• 英文名称: boranylfluoronium
• CAS: 34502-81-3
• 化学式: BFH
• 分子量: 30.8173
• InChiKey: RTUBEPMOGIGXRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  2.0
• 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

• 作为产物：
  描述：

  三氟化硼 、 氢气 以 neat (no solvent) 为溶剂， 生成 boranylfluoronium
  参考文献：
  名称：

  HBF+ 分子结构的微波光谱

  摘要：

  摘要 对 H11BF+、H10BF+、D11BF+ 和 D10BF+ 同位素的毫米波和亚毫米波光谱进行了观察和分析。导出的惯性矩已用于确定该分子离子的 rs 结构。获得的平均键距为： rs (BH)=1.1736 A rs (BF)=1.2102 A 据我们所知，这是 HBF+ 结构的第一次实验测定。

  DOI：

  10.1016/0022-2852(87)90051-8

文献信息

• Porter, R. F.; Wason, S. K., Journal of Physical Chemistry, 1965, vol. 69, p. 2208 - 2212
  作者：Porter, R. F.、Wason, S. K.

  DOI：——

  日期：——
• Pierce, Robert C.; Porter, Richard F., Inorganic Chemistry, 1975, vol. 14, # 5, p. 1087 - 1093
  作者：Pierce, Robert C.、Porter, Richard F.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 1.2.1.4, page 13 - 14
  作者：

  DOI：——

  日期：——
• Mass‐Spectrometric Studies of the Synthesis, Energetics, and Cryogenic Stability of the Lower Boron Hydrides
  作者：J. H. Wilson、H. A. McGee

  DOI：10.1063/1.1840872

  日期：1967.2.15

  Ionization-efficiency measurements on species produced in the pyrolysis of B2H6 have led to A (B+), A (BH+), A (BH2+), A (BH3+), and A (B2H5+) from B2H6 and to A (B+), A (BH+), A (BH2+), and I (BH3) from BH3. These experimental results have permitted a rather complete development of the energetics of the BH3; B2H6 system and its related radicals and ions, including the important symmetric dissociation energy, D (BH3–BH3), which was found to be 2.56 eV. BH2 was not observed in these experiments and thermodynamic and kinetic arguments, using the results of this investigation, predict that BH2 should be of little significance in the pyrolysis mechanism. Using a cryogenically cooled mass-spectrometric system the existence of BH3 and BH2F as stable cryochemicals was explored at temperatures down to 55°K with negative results.
• The microwave spectrum of the HBF⁺ ion
  作者：Shuji Saito、Satoshi Yamamoto、Kentarou Kawaguchi

  DOI：10.1063/1.452739

  日期：1987.3

  Rotational transitions of the HBF+ ion were observed in the region up to 380 GHz by using a source-modulated microwave spectrometer combined with a hollow cathode free space cell. The HBF+ (or DBF+) ion was generated by a dc discharge in a mixture of BF3 and H2 (or D2). The ion was identified on the basis of the linear-molecule spectral pattern with the nuclear hyperfine structure of the boron nucleus, supported by the spectral-intensity lowering by an external magnetic field. The rotational constant, the centrifugal distortion constant, and the nuclear quadrupole coupling constant were precisely determined for three isotopic species: H11BF+, H10BF+, and D11BF+. From the observed ground-state rotational constants the combined rs parameters were obtained; rs(BH) =1.173 47(2) Å and rs(BF) =1.210 28(2) Å.