ammonia trifluoroborane | 13709-86-9

• 英文名称: ammonia trifluoroborane
• 英文别名: azaniumyl(trifluoro)boranuide
• CAS: 13709-86-9
• 化学式: BF₃H₃N
• 分子量: 84.8367
• InChiKey: KSFLLKZSRZJUQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.43
• 重原子数：
  5
• 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：
  27.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonia trifluoroborane 以 neat (no solvent) 为溶剂， 生成 2,4,6-三氟硼嗪
  参考文献：
  名称：

  Jemson, H. M.; Lewis-Bevan, W.; Gerry, M. C. L., Canadian Journal of Chemistry, 1988, vol. 66, p. 2088 - 2099

  摘要：

  DOI：
• 作为产物：
  描述：

  三氟化硼 、 氨 以 gaseous matrix 为溶剂， 生成 ammonia trifluoroborane
  参考文献：
  名称：

  The identification of the classical donor–acceptor complex H₃N–BF₃in the gas phase

  摘要：

  四种同位素异构体H314N11BF3、H314N10BF3、H315N11BF3和H315N10BF3的J=1转动跃迁已通过脉冲喷嘴傅里叶变换微波光谱仪检测到，这些同位素异构体是氨和三氟化硼之间形成的典型施受体复合物。通过使用快速混合喷嘴，H3NBF3在碰撞无扩展中被分离，防止了冷凝的发生，从而首次在气相中检测到这一难以捉摸的物种。

  DOI：

  10.1039/c39910001397

文献信息

• Crystal and supramolecular structures of complexes of BF3NH3 and BH3NH3 with 18-crown-6
  作者：Howard M. Colquhoun、Geraint Jones、John M. Maud、J. Fraser Stoddart、David J. Williams

  DOI：10.1039/dt9840000063

  日期：——

  The macrocyclic polyether 18-crown-6 (C12H24O6) readily forms crystalline 1 : 1 complexes with the adducts BF3NH3 and BH3NH3. Crystals of the solvates BF3NH3·C12H24O6·CH2Cl2 and BH3NH3·C12H24O6·MeOH were suitable for X-ray crystallographic investigation. In both cases, the crystal structures reveal that 18-crown-6 adopts an all-gauche conformation with pseudo D3d symmetry in which the intermolecular

  大环聚醚18-冠-6（C 12 H 24 O 6）容易与加合物BF 3 NH 3和BH 3 NH 3形成结晶的1：1配合物。溶剂化物BF 3 NH 3 ·C 12 H 24 O 6 ·CH 2 Cl 2和BH 3 NH 3 ·C 12 H 24 O 6 ·MeOH的晶体适用于X射线晶体学研究。在这两种情况下，晶体结构均显示18-crown-6具有伪D 3d对称性的Allauche构型，其中大环聚醚与加合物之间的分子间N–H⋯O氢键相互作用直接与C缔合。冠的络合面上的氧原子三角形。
• Aufbau und Abbau von (NH4)[BF4] und H3N-BF3Professor Dieter Naumann zum 60. Geburtstag gewidmet
  作者：Dirk Göbbels、Gerd Meyer

  DOI：10.1002/1521-3749(200208)628:8<1799::aid-zaac1799>3.0.co;2-l

  日期：2002.8

  (NH4)[BF4] is produced as single crystals during the reaction of elemental boron and NH4HF2 (B : NH4HF2 = 1 : 2) and NH4F (B : NH4F = 1 : 4), respectively, in sealed copper ampoules at 300 degreesC. The crystal structure (baryte type, orthorhombic, Puma, Z = 4) was redetermined at ambient temperature (a = 909.73(18), b = 569.77(10), c = 729.47(11) pm, R-all = 0.0361) and at 140 K (a = 887.3(2), b = 574.59(12), c = 717.10(12) pm, R-all = 0.0321). Isolated (NH4)(+) and [BF4](-) tetrahedra are the important building units. The thermal behaviour of (NH4)[BF4] was investigated under inert (Ar, N-2) and reactive conditions (NH3) with the aid of DTA/TG and DSC measurements and with in-situ X-ray powder diffraction as well. Finally, (NH4)[BF4] is decomposed yielding NH3 and BF3, BN is not produced under the current conditions. Colourless single crystals of H3N-BF3 were prepared directly from the components NH3 and BF3. The crystal structure was determined anew at 293 and 170 K (orthorhombic, Pbca, Z = 8, a = 815.12(10), b = 805.91(14), c = 929.03(12) pm, R-all = 0.0367; a = 807.26(13), b = 800.48(10), c = 924.31 (11) pm, R-all = 0.0292, T = 170 K). The crystal structure contains isolated molecules H3N-BF3 in staggered conformation with a B-N distance of 158 pm. The thermal behaviour of H3N-BF3 was studied likewise.