β-octachloro-5,10,15,20-tetraphenylporphyrinato tebium (acetato) (Me2SO)2 | 189874-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: β-octachloro-5,10,15,20-tetraphenylporphyrinato tebium (acetato) (Me2SO)2
• 英文别名: Tb(Cl8TPP)(OAc)(Me2SO)2
• CAS: 189874-63-3
• 化学式: C₅₀H₃₅Cl₈N₄O₄S₂Tb
• 分子量: 1262.53
• InChiKey: HHKQTWLGDOVGIC-RRKFJFEISA-M

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

• 作为产物：
  描述：

  二甲基亚砜 、 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin 、 Tb(acac)₃*2H2O 以 further solvent(s) 为溶剂， 以70%的产率得到β-octachloro-5,10,15,20-tetraphenylporphyrinato tebium (acetato) (Me2SO)2
  参考文献：
  名称：

  Comparative Study of Structure−Properties Relationship for Novel β-Halogenated Lanthanide Porphyrins and Their Nickel and Free Bases Precursors, as a Function of Number and Nature of Halogens Atoms

  摘要：

  The synthetic route of partially beta-halogenated via a "metal-assisted" reaction and perhalogenated terbium complexes is described. This protocol allows the facile insertion of the halogens (bromines or chlorides) to the porphyrin peripheral positions. The electronic absorption spectra and the redox potentials of the free porphyrins as well as the terbium complexes are dramatically affected as the number of halogen atoms increase. In fact, two antagonistic effects are responsible for that, the inductive and the distortion effects on the porphyrin ring. They result in a red shift for the Soret band and a stabilization/destabilization of the HOMOs/LUMOs which in turn is manifested by variations on the redox potentials. The novel crystal structure of the Ni(Cl8TPP) is discussed in great detail and compared with the previously reported structures of Tb(Cl8TPP) (OAc)(DMSO)(2).3PhCH(3).MeOH and H-2(Br8TPP), as well as with other perhalogenated nickel porphyrins available in the literature.

  DOI：

  10.1021/ic000738h

文献信息

• First X-ray crystal structure of a lanthanide(iii) monoporphyrinic complex using non-planar porphyrin rings
  作者：Georgios A. Spyroulias、Alexis Despotopoulos、Catherine P. Raptopoulou、Aris Terzis、Athanassios G. Coutsolelos

  DOI：10.1039/a608013h

  日期：——

  Twenty-three years after the first synthesis of lanthanide(III) porphyrins the X-ray crystal structure of [Tb III (β-Cl 8 tpp)(O 2 CMe)(Me 2 SO 2 ] is reported; the synthetic route to four halogenated porphyrins H 2 (β-X n tpp) (X = Cl or Br, n = 4 or 8) is described and compared with the corresponding [Tb III (β-X n tpp)(O 2 CMe)]; the highly distorted structure of the Tb III complex is compared with similar perhalogenated porphyrinic complexes; the X-ray structure of the brominated free base is also reported.

  在首次合成镧系(III)卟啉 23 年后，报告了[Tb III (β-Cl 8 tpp)(O 2 CMe)(Me 2 SO 2 ]的 X 射线晶体结构；描述了四种卤代卟啉 H 2 (β-X n tpp) (X = Cl 或 Br, n = 4 或 8) 的合成路线，并与相应的[Tb III (β-X n tpp)(O 2 CMe)] 进行了比较； 将 Tb III 复合物的高度畸变结构与类似的全卤化卟啉复合物进行了比较；还报告了溴化游离碱的 X 射线结构。