| 13863-92-8

• CAS: 13863-92-8；13874-31-2
• 化学式: AlBr₃*H₃N
• 分子量: 283.724
• InChiKey: JIUSJKWUFUDHMM-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  5.0
• 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：
  35.0
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  氨 、 以 melt 为溶剂， 生成 monobromo(pentaammine)aluminium dibromide
  参考文献：
  名称：

  Penta-Ammoniates of Aluminium Halides: The Crystal Structures of AlX3·5NH3 with X = Cl, Br, IProfessor Joachim Strähle zum 65. Geburtstag gewidmet

  摘要：

  Colourless crystals grow in the colder part of a glass ampoule when AlX3.5NH(3) with X = Cl, Br, I is heated for 3 - 6 d to 330degreesC (CI), 350degreesC (Br) and 400degreesC (I), respectively. The chloride forms hexagonal prisms while the bromide and iodide were obtained as a bunch of lancet-like crystals. The chloride and bromide crystallize isotypic whereas the iodide has an own structure type. All three are related to the motif of the K2PtCl6 type. So the formula of the ammoniates may be written as X-2[Al(NH3)(5)X] congruent to [Al(NH3)(5)X]X-2. The compounds are characterized by the following crystallographic dataAlCl3.5NH(3): Pnma, Z = 4, a = 13.405 (1)Angstrom, b = 10.458 (1)Angstrom, c = 6.740 (2)AngstromAlBr3.5NH(3): Prima, Z = 4, a = 13.808 (2)Angstrom, b 10.827 (1)Angstrom, c = 6.938 (1)AngstromAlI3.5NH(3): Cmcm, Z = 4, a = 9.106 (2)Angstrom, b 11.370 (2)Angstrom, c = 11.470 (2)AngstromFor the chloride and the bromide the structure determinations were successful including hydrogen positions. All three compounds contain octahedral molecular cations [Al(NH3)(5)X](2+) located in distorted cubes formed by the remaining 2X(-) ions. The orientation of the octahedra to each other is clearly different for those with X = Cl, Br in comparison to the one with X = 1.

  DOI：

  10.1002/1521-3749(200206)628:5<951::aid-zaac951>3.0.co;2-o
• 作为产物：
  描述：

  三溴化铝 在 氨 作用下， 生成
  参考文献：
  名称：

  Tanke, E., Dissert. Hannover T. H. 1928, p. 11

  摘要：

  DOI：

文献信息

• Monoammoniates of Aluminium Halides: The Crystal Structures of AlBr3 · NH3 and AlI3 · NH3
  作者：Herbert Jacobs、Felix O. Schröder

  DOI：10.1002/1521-3749(200202)628:2<327::aid-zaac327>3.0.co;2-6

  日期：2002.2

  Single crystals of AlBr3 · NH3 and AlI3 · NH3 sufficient in size for X-ray structure determinations were obtained by evaporation/ sublimation of the respective compound from its melt. The ammoniates were synthesized by the reaction of the pure halide with NH3 at -78°C and following homogenization by slowly heating the reaction mixture up to the melting points of the ammoniates (124°C and 126°C, respectively)

  通过从其熔体中蒸发/升华相应化合物获得尺寸足以用于X射线结构测定的AlBr3·NH3和AlI3·NH3单晶。通过纯卤化物与 NH3 在 -78°C 下反应合成氨化物，然后将反应混合物缓慢加热至氨化物的熔点（分别为 124°C 和 126°C）均化。两种单氨化物的 X 射线结构测定均成功用于重原子位置（无氢原子）： ·NH3：Pbca, Z = 16, a = 11.529 (5) A, b = 12.188 (2) A, c = 19.701 (4) A · NH3: Pbca, Z = 8, a = 13.536 (5) A, b = 8.759 (2) A, c = 14.348 (4) A 结构包含四面体分子 Al(NH3)X3 X = Br, I。它们不是同型的。主要区别在于相邻分子的 X- 与 NH3 的配位。在 Al(NH3)Br3 中，两个晶体学上独立的 NH3
• Molecular Reorientation in AlBr₃·NH₃, as Studied by the⁸¹Br Nuclear Quadrupole Resonance
  作者：Hideta Ishihara、Koji Yamada、Tsutomu Okuda、Alarich Weiss

  DOI：10.1246/bcsj.68.1863

  日期：1995.7

  The temperature dependence of the 81Br nuclear quadrupole resonance (NQR) frequencies and spin-lattice relaxation times (T1Q) of 81Br NQR have been measured in aluminum tribromide–ammonia (1/1), AlBr3·NH3, crystals. The 81Br NQR spectrum consists of 6 lines, which are ascribed to two AlBr3 groups. This has been confirmed by the observation of 27Al NQR using the 81Br ↔ 27Al spin echo double resonance method. A 81Br T1Q measurement revealed that the activation energies for the reorientation of the AlBr3 groups or the molecular tumbling of AlBr3·NH3 are 61.1 and 81.6 kJ mol−1. The difference in the activation energies was reflected in the temperatures of the fade-out of the 81Br NQR lines at Tf = 320 and 350 K, respectively.

  在三溴化铝-氨（1/1）AlBr3-NH3 晶体中测量了 81Br 核四极共振（NQR）频率和 81Br NQR 的自旋-晶格弛豫时间（T1Q）的温度依赖性。81Br NQR 光谱由 6 条线组成，归因于两个 基团。使用 81Br ↔ 27Al 自旋回波双共振法观测 27Al NQR 也证实了这一点。81Br T1Q 测量显示， 基团重新定向或 -NH3 分子翻滚的活化能分别为 61.1 和 81.6 kJ mol-1。活化能的差异反映在 81Br NQR 线淡出的温度上，分别为 Tf = 320 和 350 K。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Br: MVol., 9.2, page 269 - 275
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Al: MVol.B1, 7.2.1, page 230 - 236
  作者：

  DOI：——

  日期：——
• Biltz, W.; Klatte, K. A.; Rahlfs, E., Zeitschrift fur anorganische Chemie, 1927, vol. 166, p. 339
  作者：Biltz, W.、Klatte, K. A.、Rahlfs, E.

  DOI：——

  日期：——