tetrapropylammonium dibromocuprate (I) | 121131-71-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tetrapropylammonium dibromocuprate (I)
• 英文别名: tetrapropylammonium dibromocuprate(I)
• CAS: 121131-71-3
• 化学式: Br₂Cu*C₁₂H₂₈N
• 分子量: 409.715
• InChiKey: NSSVDULNSIXKCD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  16.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  tetrapropylammonium dibromocuprate (I) 、 2,3,5,6-吡嗪四腈 以 正己烷 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Anion-π interaction in metal-organic networks formed by metal halides and tetracyanopyrazine

  摘要：

  Co-crystallization of tetracyanopyrazine, TCP, with the tetraalkylammonium salts of linear [CuBr2](-), planar [PtCl4](2-) or [Pt2Br6](2-), or octahedral [PtBr6](2-) complexes resulted in formation of the alternating[MIXn](m-)/TCP stacks separated by the Allc(4)N(+) cations. These hybrid stacks showed multiple short contacts between halide ligands of the [M1Xn](m-) complexes and carbon atoms of the TCP acceptor indicating strong anion-pi bonding between these species. It confirmed that the anion-pi interaction is sufficiently strong to bring together such disparate components as ionic metal complexes and neutral aromatic molecules regardless of the geometry of the coordination compound. Structural features of the solid-state stacks and (M1Xn](m-).TCP dyads resulted from the quantum-mechanical computations suggests that the molecular-orbital (weakly-covalent) component play an important role in association of the Mr-complexes with the TCP acceptor. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2017.03.009
• 作为产物：
  描述：

  四丙基溴化铵 、 copper(I) bromide 以 乙醇 为溶剂， 生成 bis(tetrapropylammonium) hexa-μ-bromo-tetrahedro-tetracuprate(I) 、 tetrapropylammonium dibromocuprate (I)
  参考文献：
  名称：

  A far infrared investigation of anionic species present in solution during the crystallization of a polynuclear bromocuprate(I) cluster containing three-coordinated copper (I)

  摘要：

  DOI：

  10.1007/bf01160851