Ir(tht)2(PPh3)Cl3] | 1375970-01-6

• 英文名称: Ir(tht)2(PPh3)Cl3]
• 英文别名: [(
• CAS: 1375970-01-6
• 化学式: C₂₆H₃₁Cl₃IrPS₂
• 分子量: 737.217
• InChiKey: XLVFGXGXRMEHII-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  Ir(tht)2(PPh3)Cl3] 、 2-(2,4-二氟苯基)吡啶 以 萘烷 为溶剂， 以19%的产率得到[Ir(2,4-difluorophenylpyridine(1-))(tetrahydrothiophene)(triphenylphosphine)Cl2]
  参考文献：
  名称：

  Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors

  摘要：

  Treatment of [IrCl3(tht)(3)] (tht = tetrahydrothio-phene) with a stoichiometric amount of PPh3 gave the monosubstitution product [Ir(tht)(2)(PPh3)Cl-3] (5), whose synthesis, particularly that leading to the effective preparation of QLED phosphors, was studied and optimized to achieve the best product yields. Thus, the independent treatment of 5 with 2,4-difluorophenylpyridine (dfppyH) or with variable amounts of benzyldiphenylphosphine (bdpH) gave rise to the formation of the cyclometalation products [Ir(dfppy)(tht)(PPh3)Cl-2) (7), [Ir(bdp)(bdpH)(tht)Cl-2] (8), and [Ir(bdp)(PPh3)(tht)Cl-2] (10), depending on the stoichiometry and conditions employed. Upon further treatment with 5-pyridy1-3-trifluoromethyl-1H-pyrazole (fppzH), these Ir(III) complexes 7, 8, and 10 were capable of yielding the phosphors [Ir(dfppy)(fppz)(2)] (1), [Ir(bdp)(2)(fppz)] (4), and [Ir(bdP)(fPPz)(2)] (2), respectively. The general mechanism en route to their formation was studied and discussed.

  DOI：

  10.1021/om300325y
• 作为产物：
  描述：

  三苯基膦 、 IrCl₃(THT)₃ 以 萘烷 为溶剂， 以91%的产率得到Ir(tht)2(PPh3)Cl3]
  参考文献：
  名称：

  Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors

  摘要：

  Treatment of [IrCl3(tht)(3)] (tht = tetrahydrothio-phene) with a stoichiometric amount of PPh3 gave the monosubstitution product [Ir(tht)(2)(PPh3)Cl-3] (5), whose synthesis, particularly that leading to the effective preparation of QLED phosphors, was studied and optimized to achieve the best product yields. Thus, the independent treatment of 5 with 2,4-difluorophenylpyridine (dfppyH) or with variable amounts of benzyldiphenylphosphine (bdpH) gave rise to the formation of the cyclometalation products [Ir(dfppy)(tht)(PPh3)Cl-2) (7), [Ir(bdp)(bdpH)(tht)Cl-2] (8), and [Ir(bdp)(PPh3)(tht)Cl-2] (10), depending on the stoichiometry and conditions employed. Upon further treatment with 5-pyridy1-3-trifluoromethyl-1H-pyrazole (fppzH), these Ir(III) complexes 7, 8, and 10 were capable of yielding the phosphors [Ir(dfppy)(fppz)(2)] (1), [Ir(bdp)(2)(fppz)] (4), and [Ir(bdP)(fPPz)(2)] (2), respectively. The general mechanism en route to their formation was studied and discussed.

  DOI：

  10.1021/om300325y