| 147947-91-9

• CAS: 147947-91-9
• 化学式: CBO₂
• 分子量: 54.8208
• InChiKey: LNFVSJLEGYLXCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  硼烷 、 二氧化碳 生成
  参考文献：
  名称：

  Reaction of boron atoms with carbon dioxide: matrix and ab initio calculated infrared spectra of OBCO

  摘要：

  Pulsed laser evaporated boron atoms codeposited with Ar/CO2 samples give a strong product band at 1863.4 cm-1 that shows boron, carbon, and oxygen isotopic shifts. Ab initio calculations predict two strong infrared bands for the BOCO addition product and one strong band, which scales to the observed band position, for the OBCO insertion product. The calculated and observed frequencies exhibit isotopic shifts appropriate for an ''antisymmetric'' O-B, C-O stretching fundamental in a bent OBCO molecule.

  DOI：

  10.1021/j100116a010