beryllium monochloride | 13814-50-1

• 英文名称: beryllium monochloride
• CAS: 13814-50-1
• 化学式: BeCl
• 分子量: 44.4652
• InChiKey: LDIHXRVGMZWMIW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 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 、 氯 以 solid matrix 为溶剂， 生成 beryllium monochloride
  参考文献：
  名称：

  Codeposition generation of BeCl in an argon matrix at 12 K: An ESR investigation

  摘要：

  The molecular radical BeCl has been produced by the codeposition of beryllium atoms and chlorine in an argon matrix at 12 K. An ESR investigation yields the following magnetic parameters: g∥ = 2.001 (1), g⊥ = 1.998 (1), A∥(Be) = 282 (2) MHz, A⊥(Be) = 268 (2) MHz, ‖A∥‖(35Cl) = 53 (2) MHz, and ‖A⊥‖(35Cl) = 24 (2) MHz. Spin densities obtained from the ESR results are compared with ab initio calculations. The calculations yield a dipole moment of 1.0 D for BeCl. These results for BeCl are compared with BeF, BeOH, and BeH. BeCl, unlike BeF, does not exhibit rotational behavior in an argon matrix.

  DOI：

  10.1063/1.441667