(boraneyl-11B-d)fluoronium | 103537-84-4

• 英文名称: (boraneyl-11B-d)fluoronium
• CAS: 103537-84-4
• 化学式: BFH
• 分子量: 31.9984
• InChiKey: RTUBEPMOGIGXRI-TVNFCSRNSA-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 、 氘 以 neat (no solvent, gas phase) 为溶剂， 生成 (boraneyl-11B-d)fluoronium
  参考文献：
  名称：

  The microwave spectrum of the HBF⁺ ion

  摘要：

  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.

  DOI：

  10.1063/1.452739