4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione | 849798-42-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione
• 英文别名: 4,4,5,5,6,6,6-Heptafluoro-1-hydroxy-1-(naphthalen-2-yl)hex-1-en-3-one；4,4,5,5,6,6,6-heptafluoro-1-hydroxy-1-naphthalen-2-ylhex-1-en-3-one
• CAS: 849798-42-1
• 化学式: C₁₆H₉F₇O₂
• 分子量: 366.235
• InChiKey: BBBYRIMEUUKNNZ-UHFFFAOYSA-N

物化性质

• 沸点：
  364.7±42.0 °C(Predicted)
• 密度：
  1.463±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione 、 氯化钐 、 邻菲罗啉 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以81%的产率得到Sm(4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione(1-))3(1,10-phenanthroline)
  参考文献：
  名称：

  Efficient Electroluminescence from New Lanthanide (Eu³⁺, Sm³⁺) Complexes

  摘要：

  The syntheses, structures, and electroluminescent properties are described for two new lanthanice complexes Ln(HFNH)(3)phen [HFNH = 4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione; phen = 1,10-phenanthroline; Ln = Eu3+ (1), Sm3+ (2)]. Both complexes exhibit bright photoluminescence at room temperature (RT) due to the characteristic emission of Eu3+ and Sm3+ ion. Several devices using the two complexes as emitters were fabricated. The performances of these devices are among the best reported for devices using europium complex and samarium complex as emitters. The device based on 1 with the structure ITO/TPD (50 nm)/1:CBP (10%, 40 nm)/BCP (20 nm)/AIQ (30 nm)/LiF (11 nm)/Al (200 nm) exhibits the maximum brightness of 957 cd/m(2), current efficiency of 4.14 cd/A, and power efficiency of 2.28 Im/W with a pure red Eu3+ ion emission. Especially, at the high brightness of 200 cd/m(2), the device of 1 still has a high current efficiency of 2.15 cd/A. The device of 2 with a three-layer structure of ITO/TPD (50 nm)/2 (50 nm)/BCP (20 nm)/LiF (1 nm)/Al (200 nm) gives the maximum brightness of 42 cd/m(2), current efficiency of 0.18 cd/A. By the comparison of the electroluminescent properties of devices based on Eu(TTA)(3)phen (TTA = 2-thenoyltrifluoroacteonate) and 1, we conclude that the polyfluoration on the alkyl group of the ligand and the introduction of the long conjugate naphthyl group into the ligand improve the efficiency of 1-doped devices, especially at high current densities.

  DOI：

  10.1021/ic0485561

文献信息

• Efficient Electroluminescence from New Lanthanide (Eu³⁺, Sm³⁺) Complexes
  作者：Jiangbo Yu、Liang Zhou、Hongjie Zhang、Youxuan Zheng、Huanrong Li、Ruiping Deng、Zeping Peng、Zhefeng Li

  DOI：10.1021/ic0485561

  日期：2005.3.1

  The syntheses, structures, and electroluminescent properties are described for two new lanthanice complexes Ln(HFNH)(3)phen [HFNH = 4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione; phen = 1,10-phenanthroline; Ln = Eu3+ (1), Sm3+ (2)]. Both complexes exhibit bright photoluminescence at room temperature (RT) due to the characteristic emission of Eu3+ and Sm3+ ion. Several devices using the two complexes as emitters were fabricated. The performances of these devices are among the best reported for devices using europium complex and samarium complex as emitters. The device based on 1 with the structure ITO/TPD (50 nm)/1:CBP (10%, 40 nm)/BCP (20 nm)/AIQ (30 nm)/LiF (11 nm)/Al (200 nm) exhibits the maximum brightness of 957 cd/m(2), current efficiency of 4.14 cd/A, and power efficiency of 2.28 Im/W with a pure red Eu3+ ion emission. Especially, at the high brightness of 200 cd/m(2), the device of 1 still has a high current efficiency of 2.15 cd/A. The device of 2 with a three-layer structure of ITO/TPD (50 nm)/2 (50 nm)/BCP (20 nm)/LiF (1 nm)/Al (200 nm) gives the maximum brightness of 42 cd/m(2), current efficiency of 0.18 cd/A. By the comparison of the electroluminescent properties of devices based on Eu(TTA)(3)phen (TTA = 2-thenoyltrifluoroacteonate) and 1, we conclude that the polyfluoration on the alkyl group of the ligand and the introduction of the long conjugate naphthyl group into the ligand improve the efficiency of 1-doped devices, especially at high current densities.