[Ni3(2,2'-dipyridylamine(-1H))4(9-ethynylanthracene(-1H))2] | 1031411-78-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [Ni3(2,2'-dipyridylamine(-1H))4(9-ethynylanthracene(-1H))2]
• CAS: 1031411-78-5
• 化学式: C₇₂H₅₀N₁₂Ni₃
• 分子量: 1259.34
• InChiKey: UDMKVFNHTOWSEY-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：

  [Ni3(2,2'-dipyridylamine-H)4(acetonitrile)2](PF6)2 、 9-乙炔基蒽 在 MeLi 作用下， 以 四氢呋喃 、 乙醚 、 乙腈 为溶剂， 以52%的产率得到[Ni3(2,2'-dipyridylamine(-1H))4(9-ethynylanthracene(-1H))2]
  参考文献：
  名称：

  Effect of axial anthracene ligands on the luminescence of trinickel molecular wires

  摘要：

  Two nickel compounds having extended metal atom chains (EMACs) with the Ni-3(dpa)(4)L-2 core, where dpa is the anion of 2,2'-dipyridylamine and L represents an anthracene derivative, have been synthesized in good yield and excellent purity by reaction of Ni-3(dpa)(4)Cl-2 and the respective anthracene derivatives. For the compound Ni-3(dpa)(4)(AnCC)(2) (1) AnCC is the anion of 9-ethynylanthracene and for Ni-3(dpa)(4)(AnCOO)(2) (2) AnCOO is anthracene-9-carboxylate. The two compounds have been characterized by X-ray crystallography and other techniques. The cyclovoltammograms (CVs) of 1 and 2 display reversible redox processes at E-1/2 = 0.911 V and 1.020 V, respectively (vs. Ag/AgCl). The magnetic data suggest that the terminal Ni atoms are in a high spin state while the central Ni atom is diamagnetic, in agreement with other trinickel molecular wires. Although compound 1 is strongly luminescent, and represents the first such example in an EMAC, 2 does not display luminescence. The strong emission in 1 is related to donor-acceptor interactions between the Ni...Ni...Ni wire, the triply bonded C C linking unit, and the conjugated aromatic anthracene derivative, a process that is unavailable for 2 because the carboxylate group is almost perpendicular to the anthracene moiety. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.07.025