| 142611-58-3

• CAS: 142611-58-3
• 化学式: Be₂H
• 分子量: 19.0323
• InChiKey: AGTXLNMMBOEMDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.03
• 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 、 氢气 生成 H-Be(μ-H)2Be-H 、 单氢化物铍 、 、 、
  参考文献：
  名称：

  Reactions of beryllium atoms with hydrogen. Matrix infrared spectra of novel product molecules

  摘要：

  Beryllium atoms formed by pulsed laser ablation have been codeposited with gaseous mixtures of hydrogen diluted in argon (concentrations varied from 25:1 to 100:1) onto a substrate at 10 K. Infrared spectroscopy on the reaction mixture identified six novel product molecules-BeH, BeH2, BeBeH, HBeBH, HBeHBeH, and HBe(H)2-BeH. Assignments of infrared absorption bands were made on the basis of broad-band photolysis and annealing behavior, isotopic substitutions, and ab initio calculations performed at the MBPT(2) level. The major products initially are BeH (1970.0 cm-1) and the previously unobserved BeH2 molecule (upsilon3 = 2159.1 cm-1, upsilon2 = 697.9 cm-1) with formation of the three dimers HBeBeH, HBeHBeH, and HBe(H)2BeH at the expense of the initial reaction products upon annealing of the matrix to 30 K. The former dimer involves a stable Be-Be bond, and the latter dimers incorporate bridging hydrogen atoms. The new Be2H molecule (2013.7, 540.0 cm-1) is a minor product in these experiments, which exhibits a stronger Be-Be bond than Be2.

  DOI：

  10.1021/ja00078a057