Borane-d, dibromo- (7CI,9CI) | 14720-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Borane-d, dibromo- (7CI,9CI)
• 英文别名: 31
• CAS: 14720-24-2
• 化学式: BBr₂H
• 分子量: 172.619
• InChiKey: WVJGKRMLCSNRKG-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.04
• 重原子数：
  3.0
• 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：

  二溴硼烷 、 氘 在 BBr₃ 作用下， 以50%的产率得到Borane-d, dibromo- (7CI,9CI)
  参考文献：
  名称：

  Infrared Spectrum of ν₂ of Dibromoborane and Dibromoborane‐d

  摘要：

  The fundamental associated with the B–H and B—D stretching motions in HBBr2 and DBBr2 have been observed under high resolution. A series of evenly spaced lines occurs which has the appearance of a ⊥ band of a symmetric-top molecule. Analysis of the spectra gives an approximate value for the smallest moment of inertia from which the apex angle Br–B–Br was calculated to be 119.3±2°. It was possible to assign K values to the individual lines and to determine the position of the band centers for both HBBr2 (2622.4 cm—1) and DBBr2 (1960.1 cm—1).

  DOI：

  10.1063/1.1725691

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 1.2.3.1, page 26 - 28
  作者：

  DOI：——

  日期：——
• Infrared Spectrum of HBBr₂(g)¹
  作者：Satish K. Wason、Richard F. Porter

  DOI：10.1021/j100891a502

  日期：1965.7
• Infrared Spectrum and Vibrational Analysis of Dibromoborane and Dibromoborane‐<i>d</i>
  作者：L. Lynds、T. Wolfram、C. D. Bass

  DOI：10.1063/1.1696562

  日期：1965.12

  The vibrational spectrum of the ``perturbed'' molecules H11BBr2, H10BBr2, D11BBr2, and D10BBr2 were generated from the Green's function of the ``unperturbed'' boron tribromides 11BBr3 and 10BBr3. Effect of geometry changes imposed by replacing a halogen by hydrogen on the B1 modes has been calculated and the results indicate a strong dependence on the BH and BD bond length. Using information provided by the calculations, we have observed and identified five of the six HBBr2 and DBBr2 fundamentals. The bands are reported in the following order (cm−1): H11BBr2, D11BBr2, and D10BBr2: ν1 (BBr symmetric stretch), 595, ___, 585, ___; ν2 (BH and BD stretch), 2622, 2622, 1960, ___; ν3 (BBr symmetric deformation), ≈180–190 cm−1, calculated values only; ν4 (BBr asymmetric stretch), 1036, 1048, 870, 901; ν5 (BH and BD in-plane deformation), 772, ___, 656, ___; ν6 (out-of-plane deformation), 731, ___, 625?, ___. Blanks refer to unobserved bands. The calculated in-plane frequencies have been brought into alignment with the observed frequencies by considering mass and geometry changes without altering the force field.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 1.2.3.3, page 31 - 31
  作者：

  DOI：——

  日期：——
• Moroz, Antoni; Sweany, Ray L., Inorganic Chemistry, 1992, vol. 31, # 25, p. 5236 - 5242
  作者：Moroz, Antoni、Sweany, Ray L.

  DOI：——

  日期：——