(N,N,N',N-tetraethyl-1,3-propanediammonium)[TlBr4]Br | 444160-39-8

• 英文名称: (N,N,N',N-tetraethyl-1,3-propanediammonium)[TlBr4]Br
• CAS: 444160-39-8
• 化学式: Br*Br₄Tl*C₁₀H₂₆N₂
• 分子量: 778.233
• InChiKey: WXBVWSIXTIWDII-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  thallium(I) bromide 、 N,N,N',N'-tetraethyl-1,2-ethylenediammonium bromide 、 溴 以 氢溴酸 为溶剂， 生成 (N,N,N',N-tetraethyl-1,3-propanediammonium)[TlBr4]Br
  参考文献：
  名称：

  Structural diversity in thallium chemistry, IV. Further examples of solid state bromothallate(III) derivatives obtained by employing certain classes of alkyl diammonium cations

  摘要：

  Six new bromothallate(III) -containing salts with different alkyl diammonium cations have been prepared from bromide containing solutions and studied by single-crystal X-ray crystallographic analyses. The N,N'-diethyl-N,N,N',N'-tetramethyl-1,2-ethylenediammonium, N-methyl-1,3-propanediammonium, N,N,N',N'-tetramethyl-1,3-propanediammonium and N,N,N',N'-tetraethyl-1,2-ethylenediammonium cations yield complexes (1, 11, III and W, respectively) with the [TlBr5](2-) anionic stoichiometry. For I and U, both complexes contain the [TlBr5](2-) anion. In complex H, this appears as a distorted octahedron with one long Tl...Br2' contact of 3.632(4) Angstrom from an adjacent anion, thus completing the hexacoordination about an otherwise distorted square pyramid. On the other hand, for M and W, both complexes contain a tetrahedral [TlBr4](-) anion together with an isolated, but hydrogen-bonded, Br- anion. The 1,5-hexanediammonium complex (V) contains tetrahedral [TlBr4](-), slightly distorted octahedral [TlBr6](3-) and Br- anions. The asymmetric unit of the N,N-diethyl-1,3-propanediammonium salt (VI) contains one cation and half of each of a [TlBr4](-) and an axially compressed octahedral [TlBr6](3-) anion. Extensive hydrogen-bonded networks exist in complexes H-VI. N-H...Br hydrogen bonds generally have a significant influence on the nature of the anions present in species with the formal [TlBr5] stoichiometry. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00692-8