2,7-bis(4’4’4’-trifluoro-1,3-dioxobutyl)-(9-ethyl-9H-carbazole) | 1197184-43-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 2,7-bis(4’4’4’-trifluoro-1,3-dioxobutyl)-(9-ethyl-9H-carbazole)
• 英文别名: 1-[9-Ethyl-7-(4,4,4-trifluoro-3-oxobutanoyl)carbazol-2-yl]-4,4,4-trifluorobutane-1,3-dione；1-[9-ethyl-7-(4,4,4-trifluoro-3-oxobutanoyl)carbazol-2-yl]-4,4,4-trifluorobutane-1,3-dione
• CAS: 1197184-43-2
• 化学式: C₂₂H₁₅F₆NO₄
• 分子量: 471.356
• InChiKey: WQWJZDBVRKBNJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  73.2
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 2,7-bis(4’4’4’-trifluoro-1,3-dioxobutyl)-(9-ethyl-9H-carbazole) 、 氯化铕(III) 以 ethanol 为溶剂， 生成 Eu2(C12H6N(Et)(C(O)CHC(O)CF3)2)3(1,10-phenanthroline)2
  参考文献：
  名称：

  Visible-Light Excitable Europium(III) Complexes with 2,7-Positional Substituted Carbazole Group-Containing Ligands

  摘要：

  Two novel carbazole-based beta-diketones with 2- or 2,7-substituted groups in the carbazole ring, 2-(4'4'4'-trifluoro-1'3'-dioxobutyl)-carbazole (2-TFDBC) and 2,7-bis(4'4'4'-trifluoro-1''3'-dioxobutyl)-carbazole (2,7-BTFDBC), and their europium(III) ternary complexes Eu(2-TFDBC)(3)phen and Eu-2(2,7-BTFDBC)(3)(phen)(2) were synthesized via a dexterously designed routine, where phen is 1,10-phenanthroline. The Eu(III) complexes were characterized by elementary analysis, IR and UV-visible absorption spectroscopy, thermogravimetric analysis (TGA), and photoluminescence (PL) measurements. TGA shows that the decomposition temperatures of the complexes are 361.4 and 367.3 degrees C, respectively. PL measurement results indicated that suitably expanded pi-conjugation in the complex molecules makes the excitation band redshift to the visible region, and both the Eu(III) complexes exhibit intense red emission under blue-light excitation. The triplet state energy levels of 2-TFDBC and 2,7-BTFDBC in the complexes are higher than that of the lowest excited level of Eu3+ ion, D-5(0), so the photoluminescence mechanism of the Eu(III) complexes was proposed as a ligand-sensitized luminescence process. All of the results indicate that Eu(2-TFDBC)(3)phen and Eu-2(2,7-BTFDBC)(3)(phen)(2) are promising candidates as visible-light excitable red phosphor for luminescence applications.

  DOI：

  10.1021/ic901210c

文献信息

• A highly-efficient blue-light excitable red phosphor: intramolecular π-stacking interactions in one dinuclear europium(<scp>iii</scp>) complex
  作者：Zhengliang Wang、Hui Yang、Pei He、Yonghui He、Jishou Zhao、Huaijun Tang

  DOI：10.1039/c5dt04407c

  日期：——

  A series of ternary dinuclear europium(III) complexes [Eu2(2,7-BTFDBC)3−n(DBM)2n(Phen)2] (n = 0, 1, or 2) were synthesized by using 2,7-bis(4′4′4′-trifluoro-1,3-dioxobutyl)-(9-ethyl-9H-carbazole) (2,7-BTFDBC), dibenzoylmethane (DBM), 1,10-phenanthroline (Phen) and europium(III) ions. All these complexes display a broad excitation band in the blue region and high intensity emission with high colour

  一系列三元双核铕（III）配合物[Eu的2（2,7-二BTFDBC）-3- Ñ（DBM）2 Ñ（phen）的2 ]（Ñ = 0，1，或2）通过使用2,7-合成-双（4'4'4'-三氟-1,3-二氧丁基）-（9-乙基-9 H-咔唑）（2,7-BTFDBC），二苯甲酰甲烷（DBM），1,10-菲咯啉（Phen）和铕（III）离子。所有这些配合物在蓝色区域显示出较宽的激发带，并具有高色纯度的高强度发射。随着[Eu 2（2,7-BTFDBC）3 - n（DBM）2 n中DBM的增加，发射强度显着增加。（Phen）2 ]（n = 0、1或2）。[Eu 2（2,7-BTFDBC）（DBM）4（Phen）2 ]的分子几何结构和电子吸收谱的理论预测证实，苯基侧基结构域参与了多个T形和平行位移的π堆积与两个euro（III）中心的协调领域的互动。使用[Eu 2（2,7-BTFDBC）（DBM）4（Phen）2