dihydro borane | 14452-64-3

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: dihydro borane
• 英文别名: Boron dihydride
• CAS: 14452-64-3
• 化学式: BH₂
• 分子量: 12.8269
• InChiKey: IOCVPZINIZVUIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.92
• 重原子数：
  1
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  diborane(6) 以 neat (no solvent) 为溶剂， 以0%的产率得到dihydro borane
  参考文献：
  名称：

  Fehlner; Fridmann, Inorganic Chemistry, 1970, vol. 9, # 10, p. 2288 - 2291

  摘要：

  DOI：

文献信息

• A kinetic study of the gas-phase thermolysis of pentaborane(11)
  作者：Martin D. Attwood、Robert Greatrex、Norman N. Greenwood

  DOI：10.1039/dt9890000385

  日期：——

  B5H11 consumed. Pentaborane(9) is also produced, at less than half the rate of B2H6, together with even smaller amounts of hexaboranes and B10H14, and traces of B4H10; some 40–45% of the boron is converted into involatile solid hydride BHx, where x varies from ca. 2.0 at 40 °C to ca. 1.1. at 150 °C. No obvious dependence on temperature was detected in the overall distribution of boron between volatiles

  已通过质谱技术研究了五硼烷（11）在1.75–10.50 mmHg的压力范围和40–150°C的温度范围内的热分解动力学。在条件良好的耐热玻璃容器中，根据一阶初始速率定律–d [B 5 H 11 ] / d t = 1.3×10 7 exp（–72 600 / RT），反应表明是通过均相气相过程发生的）[B 5 H 11 ]。主要的挥发性产物是H 2和B 2 H 6，后者以ca的速率出现。每摩尔B 5 H 11 0.5摩尔消耗。五溴硼烷（9）的产生率不到B 2 H 6的一半，还会生成更少量的六硼烷和B 10 H 14以及痕量的B 4 H 10。硼的一些40-45％被转化成非挥发性的固体氢化物BH X，其中X从变化CA。2.0在40℃至CA。1.1。在150°C下。在挥发物和固体之间的硼的总体分布中，没有发现温度对温度的明显依赖性，但是在更高的温度下，B 5 H 9的产生受到了促进。讨论了这些结果的机理含义。
• Ab-initio calculations of small hydrides including electron correlation
  作者：M. Jungen

  DOI：10.1016/0009-2614(70)85015-1

  日期：1970.4

  With an IEPA-method (“Independent Electron Pair Approximation”) we estimate the total energy of BH+2(E≈−25.605 au) and its B-H equilibrium distance (re≈2.22 au). In addition, for each of the three normal modes we calculate five points of the potential surface. Analytical expressions are given for the potential curves in the vicinity of the equilibrium configuration. Furthermore vibration frequencies

  与IEPA法（“独立电子对近似”），我们估计BH的总能量+ 2（Ë ≈-25.605 AU）及其BH平衡距离（ř Ë ≈2.22AU）。另外，对于三个法线模式中的每一个，我们计算潜在表面的五个点。给出了在平衡构型附近的电势曲线的解析表达式。此外振动频率，力常数，以及用于BH反应能量3 →BH + 2 + H -被计算。
• Emission spectra of BHn fragments (n=0-3) from the 193 nm photolysis of diborane
  作者：J.A. Harrison、R.F. Meads、L.F. Phillips

  DOI：10.1016/0009-2614(88)80287-2

  日期：1988.7

  Emission spectra observed during the ArF 193 nm laser photolysis of diborane have been assigned, on the basis of band type and laser power dependence, to new transitions of BH2 and BH3. Known transitions of BH and atomic boron were also observed. The BH and BH2 bands, excited by two-photon absorption, show extremely non-Boltzmann rotational distributions in the upper state. The BH3 bands result from

  在ArF 193 nm激光乙硼烷光解过程中观察到的发射光谱已根据能带类型和激光功率相关性分配给BH 2和BH 3的新跃迁。还观察到已知的BH和原子硼的跃迁。由双光子吸收激发的BH和BH 2谱带在上层状态显示出极好的非玻耳兹曼旋转分布。BH 3带是由单光子吸收引起的，并且由两个不同的BH 3种群产生，其中一个在旋转时非常冷。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.10, 5.2.5, page 258 - 259
  作者：

  DOI：——

  日期：——
• Mass‐Spectrometric Studies of the Synthesis, Energetics, and Cryogenic Stability of the Lower Boron Hydrides
  作者：J. H. Wilson、H. A. McGee

  DOI：10.1063/1.1840872

  日期：1967.2.15

  Ionization-efficiency measurements on species produced in the pyrolysis of B2H6 have led to A (B+), A (BH+), A (BH2+), A (BH3+), and A (B2H5+) from B2H6 and to A (B+), A (BH+), A (BH2+), and I (BH3) from BH3. These experimental results have permitted a rather complete development of the energetics of the BH3; B2H6 system and its related radicals and ions, including the important symmetric dissociation energy, D (BH3–BH3), which was found to be 2.56 eV. BH2 was not observed in these experiments and thermodynamic and kinetic arguments, using the results of this investigation, predict that BH2 should be of little significance in the pyrolysis mechanism. Using a cryogenically cooled mass-spectrometric system the existence of BH3 and BH2F as stable cryochemicals was explored at temperatures down to 55°K with negative results.