四甲基-d₁₂-溴化铵 | 284474-82-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 四甲基-d₁₂-溴化铵
• 中文别名: 四甲基-D12-溴化铵
• 英文名称: Tetramethyl-d12-ammonium bromide
• 英文别名: tetrakis(trideuteriomethyl)azanium;bromide
• CAS: 284474-82-4
• 化学式: Br*C₄H₁₂N
• 分子量: 165.955
• InChiKey: DDFYFBUWEBINLX-KXWZVCIVSA-M

物化性质

• 熔点：
  >300 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -2.67
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  四甲基-d₁₂-溴化铵 、 zinc dibromide 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Phase Transition and Neutron Diffuse Scattering of {N(CD₃)₄}₂ZnBr₄

  摘要：

  DOI：

  10.1143/jpsj.54.4205

文献信息

• Low temperature vibrational spectroscopy. III. Structural aspects and detection of phase transitions in crystalline alkali metal and tetramethylammonium hexabromotellurates and platinates
  作者：Rolf Willestofte Berg

  DOI：10.1063/1.438661

  日期：1979.9.15

  The low-frequency infrared and Raman spectra of A2[TeBr6] with A=K, Rb, Cs, NH4, (CH3)4N, (CD3)4N and of A2[PtBr6] with A=K, (CH3)4N, and (CD3)4N were recorded as a function of temperature down to ∼100 K. The spectra of the Rb and Cs compounds changed little. For the other salts new, and in some cases sharp, bands were observed at low temperatures. The spectra have been assigned, and in most cases a confirmation of previous results was obtained. The assignment ambiguity in the literature on the ν4 mode of [PtBr6]2− has been solved, placing it at ∼ 130 cm−1. The majority of the new low temperature bands were interpreted in accordance with the known occurrence of phase transitions breaking the ideal antifluorite K2[PtCl6]-type symmetry, but it appears that the method of vibrational spectroscopy does not invariably reflect the presence of phases of lower symmetry. In the spectra of the tetramethylammonium compounds, methyl torsional IR bands were observed with increasing sharpness at lower temperatures. This behavior can be correlated with a gradual ordering of methyl torsional disorder. The potential energy barrier against methyl group rotation was found to be of the order 4–5 kcal/mol, showing that the methyl groups are not pseudo freely rotating. The anharmonicity of the vibrations in tetramethylammonium hexabromotellurate seems to increase abnormally at lower temperatures, possibly due to enhanced methyl–bromine interaction.
• Phase Transitions in Deuterated Compound {N(CD₃)₄}₂CuBr₄
  作者：Kazuo Gesi

  DOI：10.1143/jpsj.52.2534

  日期：1983.7.15