cobalt(II) 5,10,15,20-tetrakis(4-tert-butylphenyl)porphyrin | 108175-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: cobalt(II) 5,10,15,20-tetrakis(4-tert-butylphenyl)porphyrin
• 英文别名: (5,10,15,20-tetra(4-tert-butylphenyl)-21H,23H-porphinato)cobalt(II)；cobalt(II) 5,10,15,20-tetra(4-tert-butylphenyl)-21H,23H-porphine；CoTt-BuPP
• CAS: 108175-63-9
• 化学式: C₆₀H₆₀CoN₄
• 分子量: 896.156
• InChiKey: KMBRAJXBTAOCLY-YUTFXDKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  cobalt(II) 5,10,15,20-tetrakis(4-tert-butylphenyl)porphyrin 、 1-N-methyl-2-(pyridin-4-yl)-3,4-fullero[60]pyrrolidine 以 甲苯 为溶剂， 反应 0.12h， 生成 (5,10,15,20-tetra(4-tert-butylphenyl)21,23-porphinato)bis(1-methyl-2-(pyridin-4′-yl)-3,4-fullero[60]pyrrolidine)cobalt(II)
  参考文献：
  名称：

  基于钴(II) 5,10,15,20-(四-4-叔丁基苯基)-21Н,23Н-卟啉和1-甲基-2-(吡啶-4)的新型超分子三联体的形成反应和化学结构'-Yl)- 3,4-富勒[60]吡咯烷

  摘要：

  钴 (II) 5,10,15,20-(四-4-叔丁基苯基)-21Н,23Н-卟啉 (CoIITBPP) 与 1-甲基-2- 反应的化学动力学/热力学和光谱研究结果(pyridin-4'-yl)-3,4-fullero[60]pyrrolidine (PyF) 在 298 K 的甲苯中，以供体-受体三联体 (PyF)2CoIITBPP 的形成结束。得到了三元组双向形成反应的动力学和热力学参数。所得卟啉-富勒烯三联体的化学结构通过紫外、可见光、荧光、红外和 1H 核磁共振光谱技术进行鉴定。结果与寻找能够光致电荷分离的超分子系统的问题有关。

  DOI：

  10.1134/s0022476618030320
• 作为产物：
  描述：

  cobalt(II) acetate 、 5,10,15,20-tetrakis(p-tert-butylphenyl)porphyrin 以 not given 为溶剂， 生成 cobalt(II) 5,10,15,20-tetrakis(4-tert-butylphenyl)porphyrin
  参考文献：
  名称：

  Self-Assembled Monolayers of Cobalt(II)− (4-tert-Butylphenyl)-Porphyrins:  The Influence of the Electronic Dipole on Scanning Tunneling Microscopy Images

  摘要：

  Self-assembled monolayers (SAMs) of cobalt(II) 5,10,15,20-tetrakis(4-teit-butylphenyl)-porphyrin, a promising material for optical, photoelectrochemical, and chemical sensor applications, were prepared on Au(111) via axial ligation to 4-aminothiophenol, and studied by several surface science techniques. Scanning tunneling microscopy (STM) and spectroscopy (STS) measurements showed the apparent topology of the Au(111) herringbone structure reconstruction. but with bias-dependent contrast images and asymmetric W characteristics. Photoelectron spectroscopy confirmed the presence of metalloporphyrins on the surface, whereas near-edge X-ray absorption (NEXAFS) measurements revealed that the porphyrin ring was tilted by about 70degrees with respect to the surface plane. The above effects are ascribed to the presence of oriented molecular dipole layers between the metal and the organic material as confirmed by a comparison with first-principles density-functional theory calculations. The measured bias-dependent STM profiles have been reproduced by a simple monodimensional tunneling model.

  DOI：

  10.1021/ja0470970