二氟硼烷 | 13709-79-0

• 中文名称: 二氟硼烷
• 英文名称: difluoroborane
• 英文别名: Deuterio(difluoro)borane
• CAS: 13709-79-0
• 化学式: BF₂H
• 分子量: 50.8078
• InChiKey: LRZMJFRZMNWFKE-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.19
• 重原子数：
  3
• 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：
  2

反应信息

• 作为产物：
  描述：

  AlD3*NMe3 、 三氟化硼 以 gas 为溶剂， 生成 二氟硼烷
  参考文献：
  名称：

  Shirk, Amy E.; Shirk, James S., Inorganic Chemistry, 1983, vol. 22, # 1, p. 72 - 77

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 1.2.1.1, page 3 - 6
  作者：

  DOI：——

  日期：——
• Infrared Spectra and Vibrational Assignments of HBF₂ and DBF₂
  作者：Lahmer Lynds

  DOI：10.1063/1.1696055

  日期：1965.2
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 1.2.1.4, page 13 - 14
  作者：

  DOI：——

  日期：——
• The accurate determination of spectroscopic constants for a dark vibrational state: The Coriolis coupled ν₄ and ν₆ bands of D¹¹BF₂
  作者：Wyn Lewis‐Bevan、Wilmer D. Stork

  DOI：10.1063/1.466080

  日期：1993.9.15

  The high resolution infrared spectrum of deuterated difluoroborane, DBF2, has been recorded from 700 to 912 cm−1. At low resolution, the only observable bands in this region belong to the c-type, out-of-plane deuterium motion, ν4, of the two B isotopomers. Upon analysis of the ν4 fundamental in D11BF2, a large perturbation was observed due to a ΔK=±1 Coriolis interaction with a dark vibrational state. The dark state was presumed to be the unseen, a-type, in-plane D–B rocking fundamental, ν6. A novel method of upper state energy level interlacing was used to determine A, B+C and T0 for the dark excited state, 61, the band origin, rotational and centrifugal distortion constants for the 41 state, and ξ4,6b (≊2ζ4,6bB). Based upon these constants, ν6 transitions were predicted and located in the region of the perturbation. Experimentally determined Coriolis, rotational, and centrifugal distortion constants are reported. The experimental results are compared with the results from ab initio calculations.
• Infrared Spectra of Difluoroborane and Difluoroborane‐<i>d</i>
  作者：M. Perec、L. N. Becka

  DOI：10.1063/1.1696796

  日期：1965.7.15

  Gaseous H–BF2 and D—BF2 were obtained by a new method of preparation. Analysis of high-resolution ir spectra gave approximate values for the B–F distance (1.30±0.15 Å) and the F–B–F angle (120°±5°). Five of the six fundamentals were observed and assigned unambiguously: ν2 = 2620 and 1962 cm−1, B–H and B—D stretches; ν1 = 1166 and 1128 cm−1, 11B–F symmetric stretches in H–BF2 and D—BF2; ν3 = 545 and 540 cm−1, F–11B–F bending in H–BF2 and D—BF2; and ν4 = 1402, 1392, 1419 cm−1, 11B–F asymmetric stretches in H–BF2 and D—11BF2 and 10B–F stretch in D—10BF2, respectively; ν6 = 944, 924, 810, 790 cm−1, out-of-plane deformation in H–10BF2, H–11BF2, D—10BF2, and D—11BF2, respectively. The H–B–F bending appears to have a frequency ν5 = 1200 cm−1 for H–11BF2 and is estimated at 887 cm−1 for D—11BF2. A force-constant calculation was made, obtaining the following values (in millidynes per angstrom) : fD = 3.66, fd = 6.625, fd′ = 0.725, fDd = 0.37, fr = 0.772.