bis{72,82,122,132,172,182-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino}[b,e]benzene | 1485343-07-4

• 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
• 英文名称: bis{72,82,122,132,172,182-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino}[b,e]benzene
• 英文别名: 10,11,19,20,28,29,43,44,52,53,61,62-Dodecabutoxy-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(67),2,4,6,8,10,12,14(74),15,17,19,21,23(73),24,26,28,30,32(72),34,36,38,40(70),41,43,45,47,49(69),50,52,54,56,58,60,62,64-pentatriacontaene；10,11,19,20,28,29,43,44,52,53,61,62-dodecabutoxy-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(67),2,4,6,8,10,12,14(74),15,17,19,21,23(73),24,26,28,30,32(72),34,36,38,40(70),41,43,45,47,49(69),50,52,54,56,58,60,62,64-pentatriacontaene
• CAS: 1485343-07-4
• 化学式: C₁₀₆H₁₂₆N₁₆O₁₂
• 分子量: 1816.27
• InChiKey: CTXGPHUXBOPWGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.5
• 重原子数：
  134
• 可旋转键数：
  48
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  329
• 氢给体数：
  4
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  terbium(III) acetylacetonate hydrate 、 bis{72,82,122,132,172,182-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino}[b,e]benzene 、 [Tb(2,3,9,10,16,17,23,24-octabutoxyphthalocyaninato)2] 以 正己醇 为溶剂， 反应 12.0h， 以2.3%的产率得到[Tb(2,3,9,10,16,17,23,24-octabutoxyphthalocyaninato)2Tb(bis{72,82,122,132,172,182-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino}[b,e]benzene)Tb(2,3,9,10,16,17,23,24-octabutoxyphthalocyaninato)2Tb]
  参考文献：
  名称：

  Controlling the Dipole–Dipole Interactions between Terbium(III) Phthalocyaninato Triple-Decker Moieties through Spatial Control Using a Fused Phthalocyaninato Ligand

  摘要：

  Using a fused phthalocyaninato ligand to control the spatial arrangement of Tb-III moieties in Tb-III single-molecule magnets (SMMs), we could control the dipole-dipole interactions in the molecules and prepared the first tetranuclear Tb-III SMM complex. [Tb(obPc)(2)]Tb(Fused-Pc)Tb[Tb(obPc)(2)] (abbreviated as [Tb-4]; obPc = 2,3,9,10,16,17,23,24-octabutoxyphthalocyaninato, Fused-Pc = bis(7(2),8(2),12(2),13(2),17(2),18(2)-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino} [b,e]benzenato). In direct-current magnetic susceptibility measurements, ferromagnetic interactions among the four Tb3+ ions were observed. In [Tb-4], there are two kinds of magnetic dipole-dipole interactions. One is strong interactions in the triple-decker moieties, which dominate the magnetic relaxations, and the other is the weak one through the fused phthalocyaninato (Pc) ligand linking the two triple-decker complexes. In other words, [Tb-4] can be described as a weakly ferromagnetically coupled dimer of triple-decker Tb-2(obPc)(3) complexes with strong dipole dipole interactions in the triple-decker moieties and weak ones through the fused phthalocyaninato ligand linking the two triple-decker complexes. For [Tb-4], dual magnetic relaxation processes were observed similar to other dinuclear (TbPc)-Pc-III complexes. The relaxation processes are due to the anisotropic centers. This is clear evidence that the magnetic relaxation mechanism depends heavily on the dipole-dipole (f-f) interactions between the Tb3+ ions in the systems. Through a better understanding of the magnetic dipole-dipole interactions obtained in these studies, we have developed a new strategy for preparing Tb-III SMMs. Our work shows that the SMM properties can be fine-tuned by introducing weak intermolecular magnetic interactions in a controlled SMM spatial arrangement.

  DOI：

  10.1021/ic4020459
• 作为产物：
  描述：

  硫酸 、 [bis{72,82,122,132,172,182-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino}[b,e]benzene(-4H)]Mg2 反应 0.25h， 以14%的产率得到bis{72,82,122,132,172,182-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino}[b,e]benzene
  参考文献：
  名称：

  Controlling the Dipole–Dipole Interactions between Terbium(III) Phthalocyaninato Triple-Decker Moieties through Spatial Control Using a Fused Phthalocyaninato Ligand

  摘要：

  Using a fused phthalocyaninato ligand to control the spatial arrangement of Tb-III moieties in Tb-III single-molecule magnets (SMMs), we could control the dipole-dipole interactions in the molecules and prepared the first tetranuclear Tb-III SMM complex. [Tb(obPc)(2)]Tb(Fused-Pc)Tb[Tb(obPc)(2)] (abbreviated as [Tb-4]; obPc = 2,3,9,10,16,17,23,24-octabutoxyphthalocyaninato, Fused-Pc = bis(7(2),8(2),12(2),13(2),17(2),18(2)-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino} [b,e]benzenato). In direct-current magnetic susceptibility measurements, ferromagnetic interactions among the four Tb3+ ions were observed. In [Tb-4], there are two kinds of magnetic dipole-dipole interactions. One is strong interactions in the triple-decker moieties, which dominate the magnetic relaxations, and the other is the weak one through the fused phthalocyaninato (Pc) ligand linking the two triple-decker complexes. In other words, [Tb-4] can be described as a weakly ferromagnetically coupled dimer of triple-decker Tb-2(obPc)(3) complexes with strong dipole dipole interactions in the triple-decker moieties and weak ones through the fused phthalocyaninato ligand linking the two triple-decker complexes. For [Tb-4], dual magnetic relaxation processes were observed similar to other dinuclear (TbPc)-Pc-III complexes. The relaxation processes are due to the anisotropic centers. This is clear evidence that the magnetic relaxation mechanism depends heavily on the dipole-dipole (f-f) interactions between the Tb3+ ions in the systems. Through a better understanding of the magnetic dipole-dipole interactions obtained in these studies, we have developed a new strategy for preparing Tb-III SMMs. Our work shows that the SMM properties can be fine-tuned by introducing weak intermolecular magnetic interactions in a controlled SMM spatial arrangement.

  DOI：

  10.1021/ic4020459

文献信息

• Tetranuclear Dysprosium(III) Quintuple‐Decker Single‐Molecule Magnet Prepared Using a π‐Extended Phthalocyaninato Ligand with Two Coordination Sites
  作者：Keiichi Katoh、Takaumi Morita、Nobuhiro Yasuda、Wolfgang Wernsdorfer、Yasutaka Kitagawa、Brian K. Breedlove、Masahiro Yamashita

  DOI：10.1002/chem.201804100

  日期：2018.10.17

  The magnetic properties and spin relaxation processes of a tetranuclear dysprosium(III) fused phthalocyaninato (Pc4−) quintuple‐decker single‐molecule magnet (SMM) (1) with non‐equivalent octa‐coordination geometries are reported. The structure of 1 is regarded as a dimer of Dy3+‐Pc triple‐decker SMMs with different magnetic relaxation characteristics, corresponding to the octa‐coordination geometry

  报道了具有非等价八配位几何构型的四核（（III）稠合酞菁（Pc 4−）五层双层单分子磁体（SMM）（1）的磁性和自旋弛豫过程。1的结构被认为是具有不同磁弛豫特性的Dy 3+ -Pc三层SMM的二聚体，对应于C 4对称（ϕ 1 = 23°）的八坐标几何位置Dy1和D 4的Dy2 d对称（ϕ 2 = 45°）。在H dc为1750 Oe和T在1.8-3.75 K范围内，磁化的量子隧穿得到了抑制，直接过程得到了增强。研究了配位几何形状对自旋弛豫现象的影响。
• Controlling the Dipole–Dipole Interactions between Terbium(III) Phthalocyaninato Triple-Decker Moieties through Spatial Control Using a Fused Phthalocyaninato Ligand
  作者：Takaumi Morita、Keiichi Katoh、Brian K. Breedlove、Masahiro Yamashita

  DOI：10.1021/ic4020459

  日期：2013.12.2

  Using a fused phthalocyaninato ligand to control the spatial arrangement of Tb-III moieties in Tb-III single-molecule magnets (SMMs), we could control the dipole-dipole interactions in the molecules and prepared the first tetranuclear Tb-III SMM complex. [Tb(obPc)(2)]Tb(Fused-Pc)Tb[Tb(obPc)(2)] (abbreviated as [Tb-4]; obPc = 2,3,9,10,16,17,23,24-octabutoxyphthalocyaninato, Fused-Pc = bis(7(2),8(2),12(2),13(2),17(2),18(2)-hexabutoxytribenzo[g,l,q]-5,10,15,20-tetraazaporphirino} [b,e]benzenato). In direct-current magnetic susceptibility measurements, ferromagnetic interactions among the four Tb3+ ions were observed. In [Tb-4], there are two kinds of magnetic dipole-dipole interactions. One is strong interactions in the triple-decker moieties, which dominate the magnetic relaxations, and the other is the weak one through the fused phthalocyaninato (Pc) ligand linking the two triple-decker complexes. In other words, [Tb-4] can be described as a weakly ferromagnetically coupled dimer of triple-decker Tb-2(obPc)(3) complexes with strong dipole dipole interactions in the triple-decker moieties and weak ones through the fused phthalocyaninato ligand linking the two triple-decker complexes. For [Tb-4], dual magnetic relaxation processes were observed similar to other dinuclear (TbPc)-Pc-III complexes. The relaxation processes are due to the anisotropic centers. This is clear evidence that the magnetic relaxation mechanism depends heavily on the dipole-dipole (f-f) interactions between the Tb3+ ions in the systems. Through a better understanding of the magnetic dipole-dipole interactions obtained in these studies, we have developed a new strategy for preparing Tb-III SMMs. Our work shows that the SMM properties can be fine-tuned by introducing weak intermolecular magnetic interactions in a controlled SMM spatial arrangement.