| 375854-84-5

• CAS: 375854-84-5
• 化学式: C₂₀H₁₂BrClN₄Pt
• 分子量: 618.779
• InChiKey: HPWAKIAGEJRVQS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为产物：
  描述：

  potassium tetrachloroplatinate(II) 、 1-Bromo-3,5-bis(7-azaindol-1-yl)benzene 以 水 、 乙腈 为溶剂， 以26%的产率得到
  参考文献：
  名称：

  Syntheses and Structures of New Luminescent Cyclometalated Palladium(II) and Platinum(II) Complexes:  M(Bab)Cl, M(Br−Bab)Cl (M = Pd(II), Pt(II)), and Pd₃Cl₄(Tab)₂ (Bab = 1,3-bis(7-azaindolyl)phenyl, Br−Bab = 1-Bromo-3,5-bis(7-azaindolyl)phenyl, Tab =1,3,5-tris(7-azaindolyl)phenyl)

  摘要：

  The reactions of blue luminescent ligands 1,3-bis(7-azaindolyl)benzene (BabH), 1-bromo-3,5-bis(7-azaindolyl)benzene (Br-BabH), and 1,3,5-tris(7-azaindolyl)benzene (TabH) with K2PdCl4 and K2PtCl4 have been investigated. Five new luminescent cyclometalated palladium(II) and platinum(II) complexes Pd(Bab)CI (1), Pt(Bab)CI (2), Pd(Br-Bab)CI (3), Pt(Br-Bab)CI (4), and Pd3Cl4(Tab)(2) (5) have been synthesized and fully characterized. The molecular structures of I and 2, and 3 and 4, are similar. There are however significant variations in the solid-state structures and luminescence of 1 and 2, and 3 and 4. EHMO calculations revealed that it is most likely that the electronic transitions in the Pt(II) complexes are pi to pi* transitions with significant contributions from d(pi) lone pairs of the Pt(II) center in the pi level, and the electronic transitions in the Pd(II) complexes are either d(z(2)) to pi* charge-transfer transitions or pi to pi* transitions similar to the Pt(II) complexes.

  DOI：

  10.1021/om010235z