trifluoroborohydride | 57384-26-6

• 英文名称: trifluoroborohydride
• 英文别名: trifluoroboranuide
• CAS: 57384-26-6
• 化学式: BF₃H
• 分子量: 68.8141
• InChiKey: FPXAVTNCVXLUOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  4
• 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：
  4

反应信息

• 作为产物：
  描述：

  bis(triphenylphosphine)iminium tetracarbonylhydridoferrate(0) 、 三氟化硼 在 CO 作用下， 以 四氢呋喃 为溶剂， 生成 五羰基铁 、 trifluoroborohydride
  参考文献：
  名称：

  金属羰基氢化物与路易斯酸的相互作用

  摘要：

  DOI：

  10.1021/om00072a014

文献信息

• The formation and destruction of H₃O⁻
  作者：Thomas M. Miller、A. A. Viggiano、Amy E. Stevens Miller、Robert A. Morris、Michael Henchman、John F. Paulson、Jane M. Van Doren

  DOI：10.1063/1.467136

  日期：1994.4.15

  We report the first measurements of rate constants for formation and reaction of the hydrated-hydride ion H3O−. We studied the Kleingeld–Nibbering reaction [Int. J. Mass Spectrom. Ion Phys. 49, 311 (1983)], namely, dehydrogenation of formaldehyde by hydroxide to form hydrated-hydride ion and carbon monoxide. The OD−+H2CO reaction is about 35% efficient at 298 K, with OD−/OH− exchange occurring in about half the reactions. H3O− was observed to undergo thermal dissociation in a helium carrier gas at room temperature with a rate constant of 1.6×10−12 cm3 s−1. We also studied a new reaction in which H3O− is formed: The association of OH− with H2 in a He carrier gas at low temperatures. The rate coefficient for this ternary reaction is 1×10−30 cm6 s−1 at 88 K. Rate coefficients and product branching fractions were determined for H3O− reactions with 19 neutral species at low temperatures (88–194 K) in an H2 carrier. The results of ion-beam studies, negative-ion photoelectron spectroscopy, and ion-molecule reaction data allow us to specify the hydride–water bond energy D0298(H−−H2O)=14.4±1.0 kcal mol−1 (0.62±0.04 eV). The heat of formation of H3O−, −37.5±1.0 kcal mol−1, and the proton affinity of H3O−, 386.0±1.0 kcal mol−1, are derived from these results. Dissociation of H3O− into OH− and H2 requires 4.5±1.0 kcal mol−1 energy.
• Fluoride-ion deboronation of p-fluorophenyl-ortho- and -meta-carboranes. NMR evidence for the new fluoroborate, HOBHF2−
  作者：Mark A. Fox、J.A.Hugh MacBride、Kenneth Wade

  DOI：10.1016/s0277-5387(96)00556-6

  日期：1997.1

  The reactions of 1-(4-fluorophenyl)-1,2-dicarbadodecaborane(12) 1 and 1-(4-fluorophenyl)-1,7-dicarbadodecaborane(12) 2 with tetrabutylammonium fluoride hydrate in tetrahydrofuran or acetonitrile have been monitored by F-19 and B-11 NMR. No carborane intermediates were observed prior to formation of the nido-anions 7-(4-FC6H4)-7,8-C2B9H11- 3 and 7-(4-FC6H4)-7,9-C2B9H11- 4 which each required two molecular proportions of fluoride and, by inference, one of water for complete reaction. The spectra of the initial anionic monoboron product of both reactions showed it to be the new fluoroborate HOBHF2- 5. The B-attached hydrogen atom of the fluoroborate 5 is derived from the starting carborane, since it was retained when Bu4NF.(D2O)(n) was used, but the nido-anions 3 and 4 bonded deuterium at the open face in this experiment. The H-1, B-11, F-19 and C-13 NMR spectra of carboranes 1-4 have been recorded and assigned. (C) 1997 Elsevier Science Ltd.