yttrium monobromide | 17655-40-2

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 英文名称: yttrium monobromide
• CAS: 17655-40-2
• 化学式: BrY
• 分子量: 168.81
• InChiKey: PBBJEUIUTDXHQT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.84
• 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：

  氢化钇 、 溴 以 gaseous matrix 为溶剂， 生成 yttrium monobromide
  参考文献：
  名称：

  The pure rotational spectrum of yttrium monobromide

  摘要：

  The pure rotational spectrum of the X 1Σ+ ground electronic state of yttrium monobromide has been measured. This is the first high-resolution spectrum recorded for this molecule. Transitions in the ground and first excited vibrational states have been measured for both the Y79Br and Y81Br isotopomers. Equilibrium rotational parameters have been determined and an equilibrium bond distance has been calculated. Vibrational parameters have been estimated. Hyperfine structure due to the bromine nuclei has been observed and nuclear quadrupole and nuclear spin–rotation constants have been determined. These parameters have been used to investigate the ionic character of the Y–Br bond and comparisons have been made to several alkali and alkaline earth metal bromide species.

  DOI：

  10.1063/1.477162