| 1588477-93-3

• CAS: 1588477-93-3
• 化学式: C₆₄H₄₄Cl₂F₄Ir₂N₄
• 分子量: 1400.42
• InChiKey: MLNMPINATDGUPB-UHFFFAOYSA-L

反应信息

• 作为反应物：
  描述：

  2,2'-联吡啶 、 ammonium hexafluorophosphate 、 以 甲醇 、 二氯甲烷 为溶剂， 反应 9.0h， 生成
  参考文献：
  名称：

  Four new cyclometalated phenylisoquinoline-based Ir(III) complexes: Syntheses, structures, properties and DFT calculations

  摘要：

  Four new cyclometalated phenylisoquinoline-based iridium(III) complexes [Ir(C boolean AND N)(2)( bipy)]PF6(5a-5d) (bipy = 2,2'-bipyridine) have been synthesized and fully characterized, where the C<^>N ligands are 1-(4-(trifluoromethyl) phenyl)isoquinoline, 4-(isoquinolin-1-yl)benzaldehyde, 4-(isoquinolin-1-yl)benzonitrile and 1-(3-fluoro-4-methylphenyl)isoquinoline, respectively. The crystal structures of 5a and 5c have been determined. The photophysical and electrochemical properties of these new complexes 5a-5d have been studied. All Kill) complexes exhibit orange phosphorescence in dichloromethane solution at room temperature with a maximum at 593-618 nm, quantum yield of 0.046-0.16. The frontier molecular orbital diagrams and the lowest-energy electronic transitions of 5a-5d have been calculated with density functional theory (DFT) and time-dependent OFT (TD-DFT). (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2014.02.031
• 作为产物：
  描述：

  1-(3-fluoro-4-methylphenyl)isoquinoline 、 iridium(III) chloride trihydrate 以 乙二醇乙醚 、 水 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Four new cyclometalated phenylisoquinoline-based Ir(III) complexes: Syntheses, structures, properties and DFT calculations

  摘要：

  Four new cyclometalated phenylisoquinoline-based iridium(III) complexes [Ir(C boolean AND N)(2)( bipy)]PF6(5a-5d) (bipy = 2,2'-bipyridine) have been synthesized and fully characterized, where the C<^>N ligands are 1-(4-(trifluoromethyl) phenyl)isoquinoline, 4-(isoquinolin-1-yl)benzaldehyde, 4-(isoquinolin-1-yl)benzonitrile and 1-(3-fluoro-4-methylphenyl)isoquinoline, respectively. The crystal structures of 5a and 5c have been determined. The photophysical and electrochemical properties of these new complexes 5a-5d have been studied. All Kill) complexes exhibit orange phosphorescence in dichloromethane solution at room temperature with a maximum at 593-618 nm, quantum yield of 0.046-0.16. The frontier molecular orbital diagrams and the lowest-energy electronic transitions of 5a-5d have been calculated with density functional theory (DFT) and time-dependent OFT (TD-DFT). (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2014.02.031