[Zn(bis(1,4,7-triazacyclononane)(CH2)3)][ZnBr4] | 300540-78-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Zn(bis(1,4,7-triazacyclononane)(CH2)3)][ZnBr4]
• 英文别名: [Zn(EM3)][ZnBr4]；[Zn(bis([9]aneN3)(CH2)3)][ZnBr4]；dizinc;1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane;tetrabromide
• CAS: 300540-78-7
• 化学式: Br₄Zn*C₁₅H₃₄N₆Zn
• 分子量: 748.871
• InChiKey: SKMOFQHOMZKKBO-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -13.62
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 1,3-bis(1,4,7-triazacyclonon-1-yl)-propane 、 sodium bromide 在 NaOH 作用下， 以 水 为溶剂， 生成 [Zn(bis(1,4,7-triazacyclononane)(CH2)3)][ZnBr4]
  参考文献：
  名称：

  Zinc(II) complexation with bis(1,4,7-triazacyclononane) ligands containing polymethylene linker groups. An equilibrium and structural study

  摘要：

  The stoichiometry and stability of a series of zinc(II) complexes of bis(1,4,7-triazacyclononane) ligands containing from two- to eight-membered polymethylene bridging chains have been studied by pH potentiometry. Equilibrium modeling of the data indicates that stable 1:1 complexes form when the linker group contains only two or three C atoms. Ligands comprising longer bridging chains form stable 1:1 and 2:1 Zn(II)-L complexes. The stability trends observed for the 1:1 complexes follow those of the Cu(II) complexes where the ligands with the shorter bridging groups form the most stable 1:1 complexes. The 2:1 complexes show virtually no variation in stability throughout the series. The X-ray structures of two monomeric complexes, [Zn(EM2)][ZnCl3ONO2] (1) and [Zn(EM3)][ZnBr4] (2), and a dimeric complex, [Zn-2(EM5)(mu-Cl)(3)](2)(ClO4)(2).4H(2)O (3), containing a face shared bioctahedral Zn(mu-Cl)(3)Zn cluster are determined. The structure of the [ZnCl3ONO2](2-) anion has not previously been reported. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00153-5