| 845737-72-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• CAS: 845737-72-6
• 化学式: C₁₀₉H₁₇₃N₈O₁₉Sm
• 分子量: 2049.97
• InChiKey: GMNDZNFNHFLYOY-UHFFFAOYSA-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

• 作为产物：
  描述：

  samarium(III) nitrate hexahydrate 、 [3-Ethyl-2-[6-[1-ethyl-6-(3,4,5-tridodecoxybenzoyl)oxybenzimidazol-2-yl]pyridin-2-yl]benzimidazol-5-yl] 3,4,5-tridodecoxybenzoate 以 二氯甲烷 、 乙腈 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Molecular Control of Macroscopic Cubic, Columnar, and Lamellar Organizations in Luminescent Lanthanide-Containing Thermotropic Liquid Crystals

  摘要：

  The connection of lipophilic gallic acid derivatives at the 5,5'- or 6,6'-positions of the rigid 2,6bis(1-ethyl-benzimidazol-2-yl)pyridine core provides two pro-mesogenic tridentate ligands L10 and L12, whose molecular shapes, anisometries, and directional intermolecular pi-stacking can be tuned. X-ray diffraction data in the crystalline state, combined with solution H-1 NMR measurements, show that complexation with trivalent lanthanides, Ln(III), produces the neutral hemi-disklike complexes [Ln(Li)(NO3)(3)] (i = 10, 12), which dimerize to give the rodlike bimetallic complexes [Ln(2)(Li)(2)(NO3)(6)] at lower temperature. The relevant thermodynamic parameters for the latter process depend on the nature of the ligand, the size of the metal ion, and the strength of the intermolecular interactions involved in the condensed phase. These three-dimensional models obtained for the complexes in the crystals and in solution are eventually confronted with small-angle XRD profiles recorded in the intermediate thermotropic liquid crystalline phase, in which the rigidity of the packed polyaromatic cores is maintained, while the alkyl chains are molten. According to the specific geometries and nuclearities of the molecular complexes, three types of mesophases (lamellar, columnar, and cubic) can be induced, which provides a direct correlation between the microscopic arrangements and the macroscopic ordering in lanthanicle-containing metallomesogens.

  DOI：

  10.1021/ja0446101