(Nd(α-naphthyl acetate)3(1,10-phenanthroline))2 | 1384980-33-9

• 英文名称: (Nd(α-naphthyl acetate)3(1,10-phenanthroline))2
• CAS: 1384980-33-9
• 化学式: C₉₆H₇₀N₄Nd₂O₁₂
• 分子量: 1760.11
• InChiKey: CMGFQLCHNCFSHM-UHFFFAOYSA-H

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：

  1,10-菲罗啉 、 1-萘乙酸 、 neodymium(III) nitrate hexahydrate 以 甲醇 、 水 为溶剂， 生成 (Nd(α-naphthyl acetate)3(1,10-phenanthroline))2
  参考文献：
  名称：

  Crystal Structure and Interaction With Bovine Serum Albumin of Rare Earth Complex [Nd(α-C₁₀H₇CH₂COO)₃(C₁₂H₈N₂)]₂

  摘要：

  The title complex [Nd(alpha-C10H7CH2COO)(3)(C12H8N2)](2) has been synthesized by the reaction of Nd(NO3)(3) center dot 6H(2)O with alpha-naphthyl acetic acid (NAA) and 1,10-phenanthroline (phen). The title complex has an inversion center. The structure of title complex was characterized by the method of IR, elemental analysis, and Xray single crystal diffraction. The results show that title complex crystallizes in a triclinic system, space group P-1 with cell parameters a=11.7670(10) angstrom, b=12.6937(13) angstrom, c = 16.190(19) angstrom, alpha = 91.118(2)degrees, beta = 106.290(2)degrees, gamma=115.993(3)degrees, V = 2058(2)angstrom(3), Dc=1.420 Mg/m(3), Z=1, mu=1.313mm(-1), F(000)=890. Each Nd(III) atom is bridged by four alpha-naphthyl acetate. The Nd(III) atom is nine-coordinated by seven oxygen atoms from five alpha-naphthyl acetate and two nitrogen atoms from one phen molecule. Hydrogen bonds and aromatic pi center dot center dot center dot pi stacking interactions assemble the title complex into a three-dimensional network. After studying the interaction of title complex with bovine serum albumin (BSA) through multi-spectroscopic methods, the binding constant K-b, corresponding thermodynamic parameters Delta H, Delta S, and Delta G at different temperatures, were calculated according to the van't Hoff equation. We can find that hydrophobic interaction force plays a major role between the title complex and BSA. The effect of title complex on the conformation of BSA were also analyzed by using synchronous fluorescence and FT-IR spectroscopy.

  DOI：

  10.1080/15533174.2011.609509