[Zn3(N,N'-bis((4,4'-diethylamino)salicylidene)-1,2-phenylenediamine(-2H))(CH3COO)2] | 1001337-29-6

• 英文名称: [Zn3(N,N'-bis((4,4'-diethylamino)salicylidene)-1,2-phenylenediamine(-2H))(CH3COO)2]
• CAS: 1001337-29-6
• 化学式: C₆₀H₇₀N₈O₈Zn₃
• 分子量: 1227.43
• InChiKey: XDAVLVXPARLRST-IJTABEIISA-H

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：

  N,N′-bis[(4,4′-diethylamino)salicylidene]-1,2-phenylenediamine 、 zinc(II) acetate dihydrate 在 NaOH 作用下， 以 甲醇 为溶剂， 以74.3%的产率得到[Zn3(N,N'-bis((4,4'-diethylamino)salicylidene)-1,2-phenylenediamine(-2H))(CH3COO)2]
  参考文献：
  名称：

  Synthesis, crystal structure and photoluminescent properties of an aromatic bridged Schiff base ligand and its zinc complex

  摘要：

  An aromatic bridged Schiff base ligand, N,n'-bis((4,4'-diethylamino)salicylidene)-1,2-phenylenediamine (H2L3), and its trinuclear Zinc(II) complex, Zn3L23 (CH3COO)(2), were synthesized and characterized by means of elemental analyses, FT-IR and UV-Vis absorption spectra, and single crystal X-ray crystallography. The X-ray crystal structure of the complex reveals that the zinc ion (Znl or ZnlA) is coordinated by two oxygen atoms in phenolate and two nitrogen atoms in imines of the ligand and one oxygen atom of the acetate, the zinc ion (Zn2) is coordinated by four oxygen atoms in phenolate of the ligands and two oxygen atoms of the acetates. Two acetates coordinate to three zinc ions through Zn-O-C-O-Zn bridges. The complex exhibits blue-green emission as the result of the fluorescence from the intraligand emission excited state. In addition, the ground-state geometries, the lowest energy transition and the UV-Vis spectrum of the ligand have been studied with density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at B3LYP/6-31G(d) level, showing that the calculation outcomes are in good agreement with experimental data. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.07.012