(4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13,16-hexaoxahexadecamethylene)phthalocyaninato)copper(II) | 108695-58-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13,16-hexaoxahexadecamethylene)phthalocyaninato)copper(II)
• 英文别名: (4,5,4',5',4'',5'', 4''',5'''-tetra(1,4,7,10,13,16-hexaoxahexadecamethylene)phthalocyaninato)copper(II)；copper;7,10,13,16,19,22,32,35,38,41,44,47,57,60,63,66,69,72,82,85,88,91,94,97-tetracosaoxa-1a,2,3a,27,52,77-hexaza-2a,4a-diazanidatridecacyclo[76.22.1.13,26.128,51.153,76.04,25.06,23.029,50.031,48.054,75.056,73.079,100.081,98]tetrahecta-a(99),1,1a(78),3,3a(51),5,23,25,27,29,31(48),49,52,54,56(73),74,76,79,81(98)-nonadecaene
• CAS: 108695-58-5
• 化学式: C₇₂H₈₈CuN₈O₂₄
• 分子量: 1513.08
• InChiKey: HFVJGQDOQVJNIS-UHFFFAOYSA-N

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：

  (4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13,16-hexaoxahexadecamethylene)phthalocyaninato)copper(II) 、 rubidium picrate 以 甲醇 、 氯仿 为溶剂， 生成 (rubidium picrate)4 * (4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13,16-hexaoxahexadecamethylene)phthalocyaninato)copper(II)
  参考文献：
  名称：

  “冠状”酞菁与金属盐配合物的电导率

  摘要：

  与未聚集的酞菁相比，金属盐对“冠状”酞菁的聚集提高了电导率。

  DOI：

  10.1039/c39880000108
• 作为产物：
  描述：

  4,5-dicyanobenzo-18-crown-6 、 copper(l) cyanide 以 not given 为溶剂， 生成 (4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13,16-hexaoxahexadecamethylene)phthalocyaninato)copper(II)
  参考文献：
  名称：

  含酞菁和冠醚亚基的宿主的合成及聚集行为

  摘要：

  描述了四种新的有机主体，它们包含一个酞菁核，四个冠醚环连接到该核上。这些主体包括具有 18-crown-6 环的游离碱酞菁和具有 15-crown-5、18-crown-6 和 21-crown-7 环的三种铜酞菁。大环化合物是由苯并冠醚分三步合成的。在溶液中，酞菁倾向于形成聚集体。这种聚集受溶剂极性和碱金属盐存在的影响，这些盐与冠部配位。直径与冠醚环直径相匹配的阳离子与新宿主形成 4:4 的主客体复合物。当阳离子的直径超过冠醚环的直径时，形成主客体化学计量比为 8:4 的配合物。提出了铜酞菁主体的结合自由能，并与苯并冠醚的结合自由能进行了比较。结合图谱支持 UV-vis 实验的结果；即，大阳离子引起大环的聚集。自 20 年前佩德森发现冠醚 1 以来，已经发表了数百篇关于这些化合物化学的论文。 2 关于酞菁和相关大环的论文数量甚至更多。 3 直到最近，还没有任何论文已经发表了描述包含两种类型环系统的宿主。

  DOI：

  10.1021/ja00248a021

文献信息

• Sielcken, O. E.; Lindert, H. C. A. van; Drenth, W., Berichte der Bunsen-Gesellschaft, 1989, vol. 93, p. 702 - 707
  作者：Sielcken, O. E.、Lindert, H. C. A. van、Drenth, W.、Schoonman, J.、Schram, J.、Nolte, R. J. M.

  DOI：——

  日期：——
• Sielcken, O. E.; Drenth, W.; Schoonman, J., Recueil des Travaux Chimiques des Pays-Bas, 1987, vol. 106, # 6-7, p. 414
  作者：Sielcken, O. E.、Drenth, W.、Schoonman, J.、Schram, J.、Nolte, R. J. M.

  DOI：——

  日期：——
• Crown Ether Substituted Monomeric and Cofacial Dimeric Metallophthalocyanines. 1. Photophysical Studies of the Free Base, Zinc(II), and Copper(II) Variants
  作者：A. V. Nikolaitchik、O. Korth、M. A. J. Rodgers

  DOI：10.1021/jp9911651

  日期：1999.9.1

  Metallophthalocyanines have been prepared with 18-crown-6 residues at the four peripheral benzo sites (McrPc). Metal centers employed have been H-2 (free base), Zn(II), and Cu(II). In ethanol solution containing potassium acetate, such species incorporate K+ cations;into the crowns, one K+ per crown, and are monomeric in nature. When cesium acetate is present, Csf cations complex with a pair of crown residues, resulting in cofacial dimer species (McrPcD) in which one Cs+ ion links two ethers in a kind of sandwich arrangement. This dimerization results in spectral shifts to the blue. Photophysical examinations of these monomeric and dimeric entities have been carried out. For H(2)crPe and Zn(II)crPc the excited-state dynamics are those of the pi-macrocycle, and dimer formation caused no major changes except for increasing the rate constants of the excited-state deactivation. Such increases are anticipated owing to the proximity of the lower exciton state and the ground state. For Cu(II)crPc where now a d(9) metal is present within the ct-system, a deactivation event with a 22 ns lifetime was attributed to the decay of the T-4 State of the complex. The corresponding state of the cofacial dimer had a lifetime of 5.7 ns. Ultrafast experiments with ca. 500 fs resolution provided evidence of earlier processes in the Cu(II) system. Thus, in the monomer, a 2.9 ps lifetime event preceded the quartet-state decay. This may be attributable either to the decay of the T-2 precursor to the T-4 State or to the population of a CT state situated between T-2 and S-2(0) in energy. Similar early-time behavior was noted for the Cu(II) dimer. Triplet-state properties are reported for the monomeric and dimeric free base and Zn(II) Pea. Notably, the bimolecular rate constants for O-2 quenching were lower for the dimers compared to the monomers. This can be understood if the dimerization yields a triplet state with an energy lower than that of singlet oxygen, O-2((1)Delta(g)).
• Trofimova; Gorbunova; Tolkacheva, Russian Journal of Coordination Chemistry, 1999, vol. 25, # 6, p. 402 - 407
  作者：Trofimova、Gorbunova、Tolkacheva、Tsivadze

  DOI：——

  日期：——
• Sielcken, Ot E.; Drenth, Wiendelt; Nolte, Roeland J. M., Recueil des Travaux Chimiques des Pays-Bas, 1990, vol. 109, # 7/8, p. 425 - 428
  作者：Sielcken, Ot E.、Drenth, Wiendelt、Nolte, Roeland J. M.

  DOI：——

  日期：——