boron monofluoride | 33576-86-2

• 英文名称: boron monofluoride
• CAS: 33576-86-2
• 化学式: BF
• 分子量: 28.9984
• InChiKey: YFSQMOVEGCCDJL-BJUDXGSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  2.0
• 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：

  硼烷 在 fluorine 作用下， 生成 boron monofluoride
  参考文献：
  名称：

  卤素与激光烧蚀硼的反应：固体氩气中BXn的红外光谱（X = F，Cl，Br，I； n = 1，2，3）

  摘要：

  BX(n) (X = F, Cl, Br, I; n = 1, 2, 3) species were produced by the reaction of laser-ablated atomic boron with F2, Cl2, Br2, and I2, trapped in solid argon at 12 +/- 1 K, and characterized by infrared absorption spectroscopy. The relative band intensities observed for BX, BX2, and BX3 Species depended on the method of production. Enclosing the boron target inside a tube and codepositing boron atoms with halogen molecules enhanced the primary reaction products BX and BX2, whereas passing the halogen through the tube and coaxially mixing with atomic boron promoted the final reaction product BX3. Very low laser power favored the BX and BX2 radicals over the BX3 molecules. These studies provide further chemical evidence for the intermediate BX2 radicals.

  DOI：

  10.1021/j100121a008

文献信息

• Quantum-Chemical Calculations and IR Spectra of the (F₂)MF₂ Molecules (M = B, Al, Ga, In, Tl) in Solid Matrices: A New Class of Very High Electron Affinity Neutral Molecules
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1021/ja1110442

  日期：2011.3.23

  Electron-deficient group 13 metals react with F-2 to give the compounds MF2 (M = B, Al, Ga, In, Tl), which combine with F-2 to form a new class of very high electron affinity neutral molecules, (F-2)MF2, in solid argon and neon. These (F-2)MF2 fluorine metal difluoride molecules were identified through matrix IR spectra containing new antisymmetric and symmetric M-F stretching modes. The assignments were confirmed through close comparisons with frequency calculations using DFT methods, which were calibrated against the MF3 molecules observed in all of the spectra. Electron affinities calculated at the CCSD(T) level fall between 7.0 and 7.8 eV, which are in the range of the highest known electron affinities.