[Zn(bis(1,4,7-triazacyclononane)(CH2)2)] trichloronitratozincate(II) | 300540-76-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: [Zn(bis(1,4,7-triazacyclononane)(CH2)2)] trichloronitratozincate(II)
• 英文别名: [Zn(EM2)][ZnCL3ONO2]；[Zn(bis([9]aneN3)(CH2)2)][ZnCl3ONO2]；chlorozinc(1+);dichlorozinc;1-[2-(1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane;nitrate
• CAS: 300540-76-5
• 化学式: C₁₄H₃₂N₆Zn*Cl₃NO₃Zn
• 分子量: 583.592
• InChiKey: FXUYVHOKEFMDKH-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  118
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 1,2-bis(1,4,7-triaza-1-cyclononyl)ethane hexakis(hydrochloride) 在 NaOH 作用下， 以 水 为溶剂， 生成 [Zn(bis(1,4,7-triazacyclononane)(CH2)2)] trichloronitratozincate(II)
  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