1,8-bis[2,2':6',2'']terpyridine-4'-yl-ethynyl-anthraquinone | 1002314-78-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,8-bis[2,2':6',2'']terpyridine-4'-yl-ethynyl-anthraquinone
• 英文别名: 1,8-Bis[2-(2,6-dipyridin-2-ylpyridin-4-yl)ethynyl]anthracene-9,10-dione
• CAS: 1002314-78-4
• 化学式: C₄₈H₂₆N₆O₂
• 分子量: 718.773
• InChiKey: UOCYZAHHYBHDOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  56
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 dichlorobis(dimethyl sulfoxide)platinum(II) 、 1,8-bis[2,2':6',2'']terpyridine-4'-yl-ethynyl-anthraquinone 在 AgO₃SCF₃ 作用下， 以 二甲基亚砜 为溶剂， 以52%的产率得到[Pt2Cl2(1,8-bis[2,2':6',2'']terpyridine-4'-yl-ethynyl-anthraquinone)](PF6)2
  参考文献：
  名称：

  Synthesis of Pendant-Type Anthraquinone-Bridged Cofacial Dinuclear Platinum(II) Complexes and Their Emission Properties

  摘要：

  Anthraquinone-bridged mononuclear and dinuclear complexes, [PtCl(AQ-amide-tpy)](PF6) (1), [Pt2Cl2(AQ-amide-tpy(2))](PF6)(2) (2), and [Pt2Cl2(AQ-eth-tpy(2))](PF6)(2) (3), were synthesized and their photochemical properties were investigated. Amide-bound mononuclear complex 1 exhibited only metal-to-ligand charge transfer (MLCT) absorption and emission, whereas dinuclear complex 2 exhibited a low-energy emission around 700 nm at room temperature. Emission lifetime analysis indicated that this emission was originated from the metal-metal-to-ligand charge transfer (MMLCT) excited state, implying the existence of an intramolecular Pt-Pt interaction at the photoexcited state. 3 with rigid ethynylene linkers showed a low-energy absorption around 520 nm (c = similar to 1100 M-1 cm(-1)) in addition to an (MLCT)-M-1 absorption, which was ascribed to a (MILCT)-M-3 absorption from the consideration of the Pt-Pt distance on a geometry-optimized structure. The emission of 3 appeared at 600 nm, which is higher in energy compared with the emission of 2. It is postulated that the restriction of the Pt-Pt distance flexibility in the rigid structure of 3 prevents the significant increase of the Pt-Pt interaction at the excited state.

  DOI：

  10.1021/ic700953k