[Ni(2,5,8-trithia[9](2,9)-1,10-phenanthrolinophane)(MeCN)]I12 | 782477-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Ni(2,5,8-trithia[9](2,9)-1,10-phenanthrolinophane)(MeCN)]I12
• CAS: 782477-79-6
• 化学式: C₂₀H₂₁N₃NiS₃*I₅*I₇
• 分子量: 1981.15
• InChiKey: JLXAZLJBPXDFLB-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：

  [Ni(2,5,8-trithia[9],(2,9)-1,10-phenanthrolinophane)(acetonitrile)][BF4]2 、 碘 以 乙腈 为溶剂， 生成 [Ni(2,5,8-trithia[9](2,9)-1,10-phenanthrolinophane)(MeCN)]I12
  参考文献：
  名称：

  [Ni(L)(MeCN)]2+complex cation as a template for the assembly of extended I3−·I5− and I5−·I7− polyiodide networks {L=2,5,8-trithia[9](2,9)-1,10-phenanthrolinophane}. Synthesis and structures of [Ni(L)(MeCN)]I8 and [Ni(L)(MeCN)]I12

  摘要：

  The compounds [Ni(L)(MeCN)]I-8 (1) and [Ni(L)(MeCN)]I-12 (2) have been obtained from the reactions of the complexes [Ni(L)(L')][BF4]((2+n)) {L=2,5,8-trithia[9](2,9)-1,10-phenanthrolinophane; L'=MeCN, Cl-, Br-, I-; n=charge of L'} with an excess of I-2 (molar ratios of 6, 10 and 20 have been used), in the presence of the stoichiometric amount of I- (as (Bu4NI)-N-n) necessary to balance the charge of the complex cation [Ni(L)(L')]((2+n)+). An X-ray diffraction analysis shows that, independently of the nature of L', both 1 and 2 contain the complex cation [Ni(L)(MeCN)](2+), which is therefore capable of templating two different polyiodide networks based on interacting I-3(-)/I-5(-) and I-5(-)/I-7 units, respectively. The solid state FT-Raman spectra of 1 and 2 are discussed based on their structural features. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.05.027