五硼化硼 | 852999-75-8

• 中文名称: 五硼化硼
• 英文名称: boron pentahydride
• CAS: 852999-75-8
• 化学式: BH₅
• 分子量: 15.8507
• InChiKey: DDYZDFUWRAROTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  硼烷 、 氢气 以 solid matrix 为溶剂， 生成 octaborane 、 五硼化硼 、 、 borohydride 、 diborane(6)
  参考文献：
  名称：

  Reactions of Pulsed-Laser Evaporated Boron Atoms with Hydrogen. Infrared Spectra of Boron Hydride Intermediate Species in Solid Argon

  摘要：

  Pulsed-laser ablated B atoms react with H-2 upon condensation with excess argon to give BH, a (H-2)(BH) complex, and B2H6 as the major products. The initial reaction to form BH requires activation energy, and BH reacts with H-2 to give additional products. Sharp new bands at 2587.3 and 1129.2 cm(-1) exhibit natural isotopic 1:4 doublets for vibrations involving a single boron atom and disappear on annealing to 25 K. Substitution of B-10 and D gives shifts that are matched by MBPT(2) calculations of vibrational spectra for planar BH,. Broader bands at 2475.2 and 1134.3 cm(-1) exhibit similar isotopic shifts for vibrations of a BH3 submolecule and decrease on annealing to 25 K. The displacements from isolated BH3 frequencies suggest a (H-2)(BH3) complex and are in general agreement with recent quantum chemical calculations for BH5. A sharp 2679.9-cm(-1) band gives the B-10 shift predicted by MBPT(2) calculations for linear HBBH. A weak 2212.8-cm(-1) band exhibits the B-10 shift and frequency calculated for the strongest band of BH4-. Additional broad absorptions that remain on annealing are attributed to higher boranes.

  DOI：

  10.1021/ja00090a048