beryllium monofluoride | 13597-96-1

• 英文名称: beryllium monofluoride
• CAS: 13597-96-1
• 化学式: BeF
• 分子量: 28.0106
• InChiKey: ROPFUFXLORQKEY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 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：

  beryllium 、 fluorine 以 gaseous matrix 为溶剂， 生成 beryllium monofluoride
  参考文献：
  名称：

  The generation and ESR investigation of the BeF radical in rare gas matrices

  摘要：

  The 13 electron BeF radical has been generated and trapped in argon and krypton matrices at 12 K and studied via ESR spectroscopy. Comparisons are made between BeF and other similar radicals. The calculated dipole moment for BeF is 1.1 D. The magnetic parameters in argon are g∥=2.001, g⊥=2.001, Aiso(Be)=294(2) MHz, and Aiso(19F) =230(2) MHz. The 19F hfs is unusually isotropic for an MF radical, suggesting that rotational averaging might be occurring. Results of ab initio theoretical calculations are compared to the observed A tensors. The BeF molecule was generated by the codeposition of thermally produced Be atoms and molecular fluorine in the rare gas matrices.

  DOI：

  10.1063/1.440728