(4,5-diazafluorene)bis(2-phenylpyrinato)iridium(III) hexafluorophosphate | 1361061-33-7

• 英文名称: (4,5-diazafluorene)bis(2-phenylpyrinato)iridium(III) hexafluorophosphate
• CAS: 1361061-33-7
• 化学式: C₃₃H₂₄IrN₄*F₆P
• 分子量: 813.765
• InChiKey: JPMFRXQRTQTACC-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：

  ammonium hexafluorophosphate 、 [iridium(III)(μ-chloro)(2-phenylpyridine)2]2 、 4,5-二氮杂芴 以 甲醇 、 二氯甲烷 为溶剂， 以80%的产率得到(4,5-diazafluorene)bis(2-phenylpyrinato)iridium(III) hexafluorophosphate
  参考文献：
  名称：

  An investigation on the second-order NLO properties of novel cationic cyclometallated Ir(III) complexes of the type [Ir(2-phenylpyridine)2(9-R-4,5-diazafluorene)]+ (R=H, fulleridene) and the related neutral complex with the new 9-fulleriden-4-monoazafluorene ligand

  摘要：

  Novel cationic cyclometallated Ir(III) complexes bearing diaza-or monoazafluorene substituted or not with a C60-fullerene moiety have been synthesized together with a novel interesting ligand 9-fulleriden-4-monoazafluorene and the related Ir(III) neutral complex [Ir(ppy)(2)(9-fulleriden-4-monoazafluorene)]. All complexes show a negative large value of mu beta(1.907) (600 to 2190 x 10(-48) esu), as determined by the Electric Field Induced Second Harmonic generation (EFISH) technique working at 1.907 mu m in 10(-3)M CH2Cl2 solution. The NLO response increases upon introduction of the fullerene moiety, due to a decrease of the interaction forces between the anion and cation within the ion pair which leads to an increase of the percentage of free ions, as evidenced by diffusion NMR experiments. Besides, it appeared that for the neutral complex [Ir(ppy)(2)(9-fulleriden-4-monoazafluorene)] the EFISH mu beta(1.907) value is lower than that of cationic Ir(III) complexes, but comparable or slightly lower to the values of other neutral Ir(III) complexes such as [Ir(ppy)(2)(RCOCR'COR)] (ppy = cyclometallated 2-phenylpyridine; R = Me, Ph; R' = H, 2,4-dinitrophenyl), confirming that the second-order NLO response of these neutral chromophores is dominated by ILCT processes concerning cyclometallated 2-phenylpyridines. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.018