boron hydroxide | 63559-84-2

• 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: boron hydroxide
• CAS: 63559-84-2
• 化学式: BHO
• 分子量: 27.8183
• InChiKey: WNDZGSZAABWBMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.94
• 重原子数：
  2
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  boron monoxide 在 氢气 作用下， 以 gaseous matrix 为溶剂， 生成 boron hydroxide
  参考文献：
  名称：

  Temperature dependence of the kinetics of the reaction BO+H₂→HBO+H

  摘要：

  We have measured the rate constant for the reaction of BO with H2 between 690 and 1030 K. The results are compared to transition-state-theory calculations consistent with a revised value for the heat of formation of the product HBO. By scaling the frequency of the doubly degenerate bend of the HHBO transition state in analogy with the isoelectronic HHCN transition state and lowering the calculated barrier from 9.5 to 8.5 kcal/mol, we are able to bring the theoretical and experimental rate constants into excellent agreement. Over the temperature range 300–3000 K, the theoretical rate constant is well represented by k(T)=7.49×10−23 cm3 s−1 T3.53 exp(−1590/T).

  DOI：

  10.1063/1.460955

文献信息

• Detection and equilibrium molecular structure of a short-lived molecule, HBO, by microwave spectroscopy
  作者：Yoshiyuki Kawashima、Yasuki Endo、Kentarou Kawaguchi、Eizi Hirota

  DOI：10.1016/0009-2614(87)85186-2

  日期：1987.4

  produced in the reaction of diborane with oxygen in a dc discharge plasma. The rotational transitions in the excited vibrational states, v1, v2, 2v2 and v3, were also observed for H11BO and H10BO. The structure was determined as re(H-B) = 1.1681(10) Å and re (B-O) = 1.2004(3) Å with estimated incertainties in parentheses.

  确定了在直流放电等离子体中乙硼烷与氧气反应中生成的H 11 BO和H 10 BO物种的旋转常数，离心畸变常数和核四极耦合常数。在激发振的旋转转换，v 1，v 2，2 v 2和v 3，还用于h观察11 BO和H 10 BO。确定结构为r e（HB）= 1.1681（10）Å和r e（BO）= 1.2004（3）Å，并在括号中估算不确定度。
• Detection of HBO by discharge modulated infrared diode laser spectroscopy
  作者：Yoshiyuki Kawashima、Kentarou Kawaguchi、Eizi Hirota

  DOI：10.1016/0009-2614(86)80546-2

  日期：1986.11

  The IR spectrum of the transient species HBO was observed in the gas phase using a discharge modulation method. The HBO molecule is formed in an ac discharge plasma of a B2H6/O2 or B2H6/NO mixture. The v3 band origin and the rotational constants of H11BO were determined to be v0 = 1825.5610 cm−1, B0 = 1.30839 cm−1, and B3 = 1.29973 cm−1.

  使用放电调制方法在气相中观察到瞬态物质HBO的红外光谱。HBO分子在B 2 H 6 / O 2或B 2 H 6 / NO混合物的交流放电等离子体中形成。确定v 3带的原点和H 11 BO的旋转常数为v 0 = 1825.5610 cm -1，B 0 = 1.30839 cm -1，并且B 3 = 1.29973 cm -1。
• Temperature dependence of the kinetics of the reaction BO+H₂→HBO+H
  作者：Nancy L. Garland、C. T. Stanton、H. H. Nelson、Michael Page

  DOI：10.1063/1.460955

  日期：1991.8.15

  We have measured the rate constant for the reaction of BO with H2 between 690 and 1030 K. The results are compared to transition-state-theory calculations consistent with a revised value for the heat of formation of the product HBO. By scaling the frequency of the doubly degenerate bend of the HHBO transition state in analogy with the isoelectronic HHCN transition state and lowering the calculated barrier from 9.5 to 8.5 kcal/mol, we are able to bring the theoretical and experimental rate constants into excellent agreement. Over the temperature range 300–3000 K, the theoretical rate constant is well represented by k(T)=7.49×10−23 cm3 s−1 T3.53 exp(−1590/T).