| 1426854-53-6

• CAS: 1426854-53-6
• 化学式: C₂₄H₃₂Cl₂N₂Pt₂
• 分子量: 809.597
• InChiKey: JZHMSVZQFZSNRI-NRKFCDJXSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 以 四氢呋喃 为溶剂， 以21%的产率得到ab-(5-methyl-1-(pentyliminomethyl-κN)-2-phenoxy-κO)-cd-(1-(pentyliminomethyl-κN)-2-phenyl-κC2)platinum(II)
  参考文献：
  名称：

  Synthesis, structure, and solid-state phosphorescence of heteroleptic platinum(II) complexes bearing iminophenyl and iminophenoxy ligands

  摘要：

  A series of heteroleptic platinum(II) complexes 1 bearing iminophenyl and iminophenoxy ligands have been synthesized and characterized using NMR, IR, and emission spectroscopies, mass spectrometry, and single crystal X-ray diffraction. The complexes exhibit intense phosphorescent emission with an absolute quantum efficiency (Phi(298K)) up to 0.29 in the crystalline state. Chromogenic control of solid-state emission over a range of 99 nm can be performed simply by introducing methoxy (MeO) groups at different positions on the aromatic rings. Hypsochromic and bathochromic shifts from the orange 1a crystal are observed with 4-/11-MeO (para-position of the imine moieties on the phenyl and phenoxy ligands; yellow emission) and 5-/12-MeO (para-position of the phenyl and phenoxy moieties; reddish orange and red emission) substitution, respectively. Time-dependent density functional theory (TD-DFT) calculations (B3LYP/6-31G*, LanL2DZ) indicated that the chromatic variation can be ascribed to the position-specific influence of the substituents on the HOMO and LUMO levels. The solid-state emission and heat-resistance are discussed based on the molecular packing of the crystals. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.04.009
• 作为产物：
  描述：

  potassium tetrachloroplatinate(II) 、 N-戊基-1-苯基-甲亚胺 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, structure, and solid-state phosphorescence of heteroleptic platinum(II) complexes bearing iminophenyl and iminophenoxy ligands

  摘要：

  A series of heteroleptic platinum(II) complexes 1 bearing iminophenyl and iminophenoxy ligands have been synthesized and characterized using NMR, IR, and emission spectroscopies, mass spectrometry, and single crystal X-ray diffraction. The complexes exhibit intense phosphorescent emission with an absolute quantum efficiency (Phi(298K)) up to 0.29 in the crystalline state. Chromogenic control of solid-state emission over a range of 99 nm can be performed simply by introducing methoxy (MeO) groups at different positions on the aromatic rings. Hypsochromic and bathochromic shifts from the orange 1a crystal are observed with 4-/11-MeO (para-position of the imine moieties on the phenyl and phenoxy ligands; yellow emission) and 5-/12-MeO (para-position of the phenyl and phenoxy moieties; reddish orange and red emission) substitution, respectively. Time-dependent density functional theory (TD-DFT) calculations (B3LYP/6-31G*, LanL2DZ) indicated that the chromatic variation can be ascribed to the position-specific influence of the substituents on the HOMO and LUMO levels. The solid-state emission and heat-resistance are discussed based on the molecular packing of the crystals. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.04.009