| 22512-19-2

• CAS: 22512-19-2
• 化学式: BH₄
• 分子量: 15.0318
• InChiKey: CROBTXVXNQNKKO-IGMARMGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.45
• 重原子数：
  1.0
• 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：

  氢气 、 硼烷 以 gaseous matrix 为溶剂， 生成 、 diborane 、
  参考文献：
  名称：

  Infrared Spectrum of the Novel Electron-Deficient BH₄ Radical in Solid Neon

  摘要：

  Laser-ablated boron reacts with hydrogen on condensation in excess neon to give BH4 radical, BH4- anion, and B2H6 as the major products. Identifications are based on 10B and D substitution, DFT frequency calculations, and comparison to previous spectra. Infrared spectra of BH4 support the C2v structure deduced from previous ESR spectra and theoretical calculations with two normal B-H bonds and two long B-H bonds for this novel electron-deficient radical. NBO analysis suggests that the two long B-H bonds and the H- -H bond are one-electron bonds.

  DOI：

  10.1021/ja026572w