metaboric fluoride-11B-18O | 110606-25-2

• 英文名称: metaboric fluoride-11B-18O
• CAS: 110606-25-2
• 化学式: BFO
• 分子量: 47.9984
• InChiKey: FHYICEHKTRQYRP-RZVBGDRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.08
• 重原子数：
  3.0
• 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：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  三氟化硼 、 氧气-18O2 以 gaseous matrix 为溶剂， 生成 metaboric fluoride-11B-18O 、 metaboric fluoride-10B-18O
  参考文献：
  名称：

  Infrared diode laser and microwave spectra and molecular structure of an unstable molecule, FBO

  摘要：

  The FBO molecule was generated by a dc discharge in a mixture of BF3, O2, and He and its vibration–rotation and rotation spectra were observed by using infrared diode laser spectroscopy and microwave spectroscopy, respectively. The ν1 B–O stretching mode of F11BO and F10BO and the ν1+ν2−ν2 hot band of F11BO were observed in the region 2050 to 2140 cm−1. Subsequently, the pure rotational spectrum was observed for the following isotopic species: F11BO, F10BO, F11B18O, and F10B18O. The rotational, centrifugal distortion, and l-type doubling constants were determined from the observed spectra, and the partial rs structure of FBO was calculated from rs coordinates and the first moment equation to be r(F–B)=1.2833(7) Å and r(B–O)=1.2072(7) Å.

  DOI：

  10.1063/1.453175