| 1374879-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1374879-41-0
• 化学式: C₄₄H₃₄N₄O₆Zn
• 分子量: 780.167
• InChiKey: VMDQZUXOMPGIPV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2,3-bis(4-methoxyphenyl)-5-hydroxyquinoxaline 、 zinc(II) acetate dihydrate 在 Na₂CO₃ 作用下， 以 乙二醇甲醚 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  First examples of luminescent zinc(II)-bisquinoxalinato complexes: Synthesis, spectroscopic and theoretical studies

  摘要：

  Four novel homoleptic zinc(II) complexes were prepared in high yield from para-substituted 2,3-diphenyl-5-hydroxyquinoxaline ligands, LHn, giving [Zn(L-n)(2)]. Density functional theoretical calculations were performed to probe the influence of the variation in para-substitution on the ligands. The calculations suggest that ligand-centred character appears to dominate the HOMO and LUMOs. Experimental electro-chemical and spectroscopic characterisation showed that the subtle variations in absorption and emission wavelengths are due to ligand-dominated transitions that are influenced by electronic nature of the para-substituted phenyl units in coordinated L-n, in both solution and the solid states. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.01.008