[Ir(2-phenylpyridine)₂(2,2′-dipyridylamine)](PF₆) | 868131-25-3

• 英文名称: [Ir(2-phenylpyridine)₂(2,2′-dipyridylamine)](PF₆)
• 英文别名: [Ir(ppy)₂(HDPA)](PF₆)；Ir(2-phenylpyridine)2(2,2'-dipyridylamine)PF6
• CAS: 868131-25-3
• 化学式: C₃₂H₂₅IrN₅*F₆P
• 分子量: 816.768
• InChiKey: RMFOZTAENVMOGJ-UHFFFAOYSA-N

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：

  [iridium(III)(μ-chloro)(2-phenylpyridine)2]2 、 2,2'-二吡啶胺 以 水 为溶剂， 反应 15.0h， 生成 [Ir(2-phenylpyridine)₂(2,2′-dipyridylamine)](PF₆)
  参考文献：
  名称：

  Two new blue-phosphorescent Ir(III) cyclometalated complexes demonstrating the pushing-up effects of amino on levels of Pi-type molecular orbitals

  摘要：

  Orbital interactions between nitrogen's 2p-orbital, 2p(N), and the higher-lying HOMO/ LUMO would push-up the latter even higher. This destabilization effect exerted by an amino explains the high-lying LUMO of the 2,2'-dipyridyl amine (HDPA) ancillary ligand, as well as the high-lying LUMO in Ir(ppy)(2)HDPA(+) (ppy = 2-phenylpyridine). The pi-destabilization effect on MOs exerted by a fluoro must be incorporated into consideration to explain the site-dependent characteristics observed by related color-tuning studies. Two new blue phosphorescent fluorinated Ir(ppy)(2)HDPA(+) complexes have been synthesized by introducing fluoro(s) at suitable phenyl-carbon(s): having small 2p(pi)(C) content in HOMO and/ or large 2p(pi)(C) content in LUMO. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.06.021

文献信息

• Synthesis, structure, and photophysical properties of a bis-cyclometalated heteroleptic iridium(III) complex containing 2,2′-dipyridylamine
  作者：Mei Ching Tseng、Wei Lin Su、Yu Cheng Yu、Shao Pin Wang、Wen Liang Huang

  DOI：10.1016/j.ica.2006.05.003

  日期：2006.9

  The synthesis, X-ray crystal structure and luminescence properties of a new bis-cyclometalated heteroleptic complex, [Ir(ppy)(2)(HD-PA)]PF6) (1, ppy = 2-phenylpyridine, HDPA = 2,2'-dipyridylamine), are reported. Both at room temperature and 77 K, complex 1 exhibits intense blue emission, assigned as (MLCT)-M-3 [d pi(Ir)pi*(HDPA)] phosphorescence. Analysis of voltammetric data also provides evidence in support of this assignment. (c) 2006 Elsevier B.V. All rights reserved.