2,11,20,29-四叔丁基-2,3-萘酞菁锌 | 39049-43-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 中文名称: 2,11,20,29-四叔丁基-2,3-萘酞菁锌
• 中文别名: 锌2,11,20,29-四叔丁基-2,3-萘醛花青苷
• 英文名称: zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine
• 英文别名: zinc tetra(tert-butylnaphtho)porphyrazine；zinc tetra(tert-butyl)naphthalocyanine；ZINC-2,11,20,29-tetra-t-butyl-2,3-naphthalocyanine；zinc;8,21,34,47-tetratert-butyl-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17(26),18,20,22,24,27(55),28,30(39),31,33,35,37,40,42(53),43(52),44,46,48,50-heptacosaene
• CAS: 39049-43-9
• 化学式: C₆₄H₅₆N₈Zn
• 分子量: 1002.59
• InChiKey: QSAQNAXTLSXDAT-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C (lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  15.93
• 重原子数：
  73
• 可旋转键数：
  4
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  2,11,20,29-四叔丁基-2,3-萘酞菁锌 、 C₆₀ pyrrolidine tris-acid ethyl ester 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Photophysical insights behind zinc naphthalocyanine-gold nanoparticle interaction and its effect over supramolecular interaction between zinc napthalocyanine and PyC 60 in solution

  摘要：

  This work envisages an efficient energy transfer phenomenon from zinc naphthalocyanine (1) to dodecanethiol functionalized gold nanoparticles (AuNp) having size of 3-6 nm in toluene. Significant enhancement in singlet energy transfer efficiency is observed for 1-AuNp conjugate. Role of AuNp over the non -covalent interaction between 1 and C-60 pyrrolidine tris-acid ethyl ester (PyC60) is studied by various spectroscopic tools; considerable reduction in the magnitude of binding constant for 1-PyC60 supramolecule is observed in presence of AuNp. Dynamic light scattering, atomic force microscope and scanning tunneling microscope measurements give clear evidence in favour of the surface binding of 1 to AuNp. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2017.02.009
• 作为产物：
  描述：

  6-叔丁基-2,3-萘二甲腈 、 zinc diacetate 在 喹啉 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 反应 20.0h， 以45%的产率得到2,11,20,29-四叔丁基-2,3-萘酞菁锌
  参考文献：
  名称：

  [EN] INFRARED FLUORESCENT COMPOSITION HAVING POLYVINYL ACETAL BINDER
  [FR] COMPOSITION FLUORESCENTE DANS LA RÉGION INFRAROUGE AYANT UN LIANT ACÉTAL POLYVINYLIQUE

  摘要：

  公开号：

  WO2013055640A3

文献信息

• Ultrafast Singlet−Singlet Energy Transfer in Self-Assembled via Metal−Ligand Axial Coordination of Free-Base Porphyrin−Zinc Phthalocyanine and Free-Base Porphyrin−Zinc Naphthalocyanine Dyads
  作者：Eranda Maligaspe、Tatu Kumpulainen、Helge Lemmetyinen、Nikolai V. Tkachenko、Navaneetha K. Subbaiyan、Melvin E. Zandler、Francis D’Souza

  DOI：10.1021/jp908115e

  日期：2010.1.14

  imidazole-appended (at different positions of one of the meso-phenyl entities) free-base tetraphenylporphyrin, H2PIm, to either zinc phthalocyanine, ZnPc, or zinc naphthalocyanine, ZnNc, dyads is investigated in noncoordinating solvents, o-dichlorobenzene and toluene, using both steady-state and time-resolved transient absorption techniques. The newly formed supramolecular dyads were fully characterized

  通过咪唑的轴向配位（在内消旋苯基实体之一的不同位置处）将游离碱四苯基卟啉H 2 PIm自组装成单重态单态能量，传递至酞菁锌ZnPc或萘酞菁锌ZnNc使用稳态和时间分辨的瞬态吸收技术，在非配位溶剂邻二氯苯和甲苯中研究了二元化合物。通过光谱，计算和电化学方法对新形成的超分子二元化合物进行了充分表征。由光吸收光谱数据测得的结合常数在10 4 -10 5 M -1的范围内。对于1：1的二元组，表明复合物的形成相当稳定。电化学和计算研究表明，当在这些二元组中激发游离碱卟啉时，光诱导的电子转移是热力学上不利的过程。在由ZnPc或ZnNc能量受体形成的两种类型的二元组中，供体游离碱卟啉实体的选择性激发都是可能的。在这些二单元组中观察到有效的单重态-单重态能量转移，并且咪唑键在游离碱卟啉实体上的位置虽然灵活，但似乎对激发的能量转移过程的整体效率具有一定的控制权。通过使用上转换和泵浦探针技术进行瞬态吸收测量来监测能量转移的动力学。
• Photoelectron Spectroscopy on Thin Films of Extended Zinc Porphyrazines
  作者：D. Pop、B. Winter、W. Freyer、W. Widdra、I. V. Hertel

  DOI：10.1021/jp046576i

  日期：2005.4.1

  Photoemission measurements were performed on a series of stepwise benzoannelated zinc porphyrazine molecules in thin films. The electronic structure of tert-butyl-substituted zinc tetraazaporphyrin, phthalocyanine, and naphthalocyanine is investigated using mainly EUV synchrotron radiation. A detailed analysis of the zinc satellites in the spectra of the valence region is performed in an attempt to infer the effect of ligand size extension on the metal-ligand interactions. No differences in the character of the bond between zinc and ligand were detected as a function of ligand size. The results are compared with those for the respective metal-free and copper-containing molecules.
• [EN] INFRARED FLUORESCENT COMPOSITION HAVING POLYVINYL ACETAL BINDER<br/>[FR] COMPOSITION FLUORESCENTE DANS LA RÉGION INFRAROUGE AYANT UN LIANT ACÉTAL POLYVINYLIQUE
  申请人：EASTMAN KODAK CO

  公开号：WO2013055640A3

  公开（公告）日：2013-07-11
• Photophysical insights behind zinc naphthalocyanine-gold nanoparticle interaction and its effect over supramolecular interaction between zinc napthalocyanine and PyC 60 in solution
  作者：Anamika Ray、Sumanta Bhattacharya

  DOI：10.1016/j.molliq.2017.02.009

  日期：2017.4

  This work envisages an efficient energy transfer phenomenon from zinc naphthalocyanine (1) to dodecanethiol functionalized gold nanoparticles (AuNp) having size of 3-6 nm in toluene. Significant enhancement in singlet energy transfer efficiency is observed for 1-AuNp conjugate. Role of AuNp over the non -covalent interaction between 1 and C-60 pyrrolidine tris-acid ethyl ester (PyC60) is studied by various spectroscopic tools; considerable reduction in the magnitude of binding constant for 1-PyC60 supramolecule is observed in presence of AuNp. Dynamic light scattering, atomic force microscope and scanning tunneling microscope measurements give clear evidence in favour of the surface binding of 1 to AuNp. (C) 2017 Elsevier B.V. All rights reserved.