tris[2(3'-pentane-2,4-dione)-ethyl]amine | 1246392-35-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tris[2(3'-pentane-2,4-dione)-ethyl]amine
• 英文别名: tris[2(3'-pentane-2,4-dione)ethyl]amine；TRI；3-[2-[Bis(3-acetyl-4-oxopentyl)amino]ethyl]pentane-2,4-dione；3-[2-[bis(3-acetyl-4-oxopentyl)amino]ethyl]pentane-2,4-dione
• CAS: 1246392-35-7
• 化学式: C₂₁H₃₃NO₆
• 分子量: 395.496
• InChiKey: IDOORDMOIXUISI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  28
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  europium(III) chloride hexahydrate 、 tris[2(3'-pentane-2,4-dione)-ethyl]amine 、 水 在 potassium tert-butoxide 作用下， 以 乙醇 为溶剂， 生成 [Eu3(H2O)18(tris[(3'-pentane-2,4-dionate)ethyl]amine)]Cl6
  参考文献：
  名称：

  New Homotrinuclear Lanthanide Complexes: Synthesis, Characterization and Spectroscopic Study

  摘要：

  This work presents the synthesis and spectroscopic study of new homotrinuclear (TRI) systems for photonics applications. The luminescence spectroscopy shows characteristics transitions of Eu(III) and Tb(III) ions. For the Gd(III) complexes, the triplets states were determined by phosphorescence measurement. The complexes' coordination geometries were calculated using the Sparkle/AM1 model. For the europium systems, the Sparkle/AM1 geometries were used to calculate all details involved in the energy transfer process, and the theoretical quantum yields were determined. From an energy diagram, that estimates triplet levels, it was possible to understand some experimental phenomenon, such as weak luminescence for precursor complex (without heterocyclics ligands), and ligands emission in terbium complexes. Some of these observations can also be explained by the Jablonski diagrams that describe, based on theoretical calculations, all luminescent process. The synthesized complexes showed high values of quantum yield in ethanolic environment: 50% for EuTRIDipy, 26% EuTRITerpy, and 56% for EuTRIPhen complexes.

  DOI：

  10.1021/jp104396k
• 作为产物：
  描述：

  tris(2-iodoethyl)amine 、 乙酰丙酮 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 72.0h， 生成 tris[2(3'-pentane-2,4-dione)-ethyl]amine
  参考文献：
  名称：

  New Homotrinuclear Lanthanide Complexes: Synthesis, Characterization and Spectroscopic Study

  摘要：

  This work presents the synthesis and spectroscopic study of new homotrinuclear (TRI) systems for photonics applications. The luminescence spectroscopy shows characteristics transitions of Eu(III) and Tb(III) ions. For the Gd(III) complexes, the triplets states were determined by phosphorescence measurement. The complexes' coordination geometries were calculated using the Sparkle/AM1 model. For the europium systems, the Sparkle/AM1 geometries were used to calculate all details involved in the energy transfer process, and the theoretical quantum yields were determined. From an energy diagram, that estimates triplet levels, it was possible to understand some experimental phenomenon, such as weak luminescence for precursor complex (without heterocyclics ligands), and ligands emission in terbium complexes. Some of these observations can also be explained by the Jablonski diagrams that describe, based on theoretical calculations, all luminescent process. The synthesized complexes showed high values of quantum yield in ethanolic environment: 50% for EuTRIDipy, 26% EuTRITerpy, and 56% for EuTRIPhen complexes.

  DOI：

  10.1021/jp104396k