[((3-perilenylmethylen-4'-ethylaniline)(-1H))Pd(acetate)]2 | 1265554-73-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [((3-perilenylmethylen-4'-ethylaniline)(-1H))Pd(acetate)]2
• 英文别名: [(3-perilenylmetilen-4'-ethylaniline(-1H)Pd(OAc)]2；[((C20H10)CHNC6H4Et-p)Pd(O2CMe)]2
• CAS: 1265554-73-1；1266068-77-2
• 化学式: C₆₂H₄₆N₂O₄Pd₂
• 分子量: 1095.9
• InChiKey: JDBCRSJSVWCBJF-SCYZQPCHSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• 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：

  [((3-perilenylmethylen-4'-ethylaniline)(-1H))Pd(acetate)]2 、 potassium acetylacetonate 以 甲醇 、 二氯甲烷 为溶剂， 生成 [((3-perilenylmethylen-4'-ethylaniline)(-1H))Pd(acetylacetonate)] 、 [((3-perilenylmethylen-4'-ethylaniline)(-1H))Pd(acetylacetonate)]
  参考文献：
  名称：

  per亚胺的环钯配合物：具有五或六元金属环的单核配合物†

  摘要：

  制备了单核钯配合物[Pd（C⁁N）L 2 ]（HC⁁N= 3-C 20 H 11 CH NC 6 H 4 - p -C 2 H 5），Pd结合在周边部位或烯基片段的邻位。这些金属化分别对应于六元（L 2 = S 2 COMe（3）; acac（4）; Cl，PMe 3（5）; Cl，PPh 3（6）; S 2 CNEt 2（7））或五元（L 2 = S 2 COMe（8）; acac（9））异构的四环化合物。的X射线结构3，5，7和8表明，苝片段基本上保持平坦为3，7和8并扭曲为5。烯基环的分子间π–π堆积仅观察到7。所有钯配合物均显示与to片段相关的荧光，其发射量子产率（在室温下于溶液中）在0.01-0.12（相对于游离亚胺为0.13）范围内，发射寿命约为1 ns。具有五元palladacycles的配合物显示出比其六元类似物更低的量子产率。这些金属化配合物与苝尽管发生了红移，但强烈暗示

  DOI：

  10.1039/c1dt10598a
• 作为产物：
  描述：

  palladium diacetate 、 3-perilenylmetilen-4'-ethylaniline 以 甲苯 为溶剂， 以41%的产率得到[((3-perilenylmethylen-4'-ethylaniline)(-1H))Pd(acetate)]2
  参考文献：
  名称：

  Cyclopalladated Complexes of Perylene Imine: Formation of Acetato-Bridged Dinuclear Complexes with 6,6- and 5,6-Membered Metallacycles

  摘要：

  Perylene-3-carbaldehyde (1) was condensed with 4-ethylaniline to give 3-perilenylmetilen-4'-ethylaniline (2). The metalation reaction of 2 with palladium acetate, in toluene at 60 degrees C, produced a mixture of palladium complexes where the two major components, 3 and 4, have been characterized as acetate-bridged dimers. Complex 3 is made of two identical six-membered endo cyclometalated Pd(C boolean AND N) moieties, in which the palladium is bound to the peri site with anti arrangement. Compound 4 is the first example combining six- and five-membered metallacycles in a dinuclear compound and adopts an unusual syn arrangement of metal ligands. The X-ray structures of 3 and 4 show pi-pi stacking of perylenyl rings, intermolecular for 3 and intramolecular for 4. The intramolecular pi-pi stacking in 4 has a detrimental effect on luminescence. The imine 2 and all the palladium complexes exhibit fluorescence associated with the perylene fragment, with emission quantum yields, in solution at room temperature, in the range 0.04-0.13 (and emission lifetimes similar to 5 ns). The similarity of the luminescence spectral pattern of the imine and their metalated complexes to that of perylene, although red-shifted, strongly suggests a perylene-dominated intraligand pi-pi* emissive state, metal-perturbed by interaction of the palladium fragment.

  DOI：

  10.1021/om1010929