[Au(4-dimethylaminopyridine)2][PF6] | 1018992-61-4

• 英文名称: [Au(4-dimethylaminopyridine)2][PF6]
• CAS: 1018992-61-4
• 化学式: C₁₄H₂₀AuN₄*F₆P
• 分子量: 586.27
• InChiKey: DNCGQVANXFTBBT-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：

  4-二甲氨基吡啶 、 ammonium hexafluorophosphate 、 氯(二甲基硫化)金(I) 以 乙醇 、 二氯甲烷 为溶剂， 以91%的产率得到[Au(4-dimethylaminopyridine)2][PF6]
  参考文献：
  名称：

  Structural, Photophysical, and Catalytic Properties of Au(I) Complexes with 4-Substituted Pyridines

  摘要：

  Ionic gold(I) complexes with general formula of [Au(Py)(2)][AuCl2] and [Au(Py)(2)][PF6] (Py = 4-substituted pyridines) have been synthesized. Structures of five Au(I) complexes and a Ag(I) complex were determined by single crystal X-ray diffraction. Evidence for cationic aggregation of [Au(Py)(2)][PF6] complexes in solution was obtained by conductivity measurements and by the isosbestic point observed from variable temperature UV-visible absorption spectra. All compounds were luminous in the solid state. Calculations employing density functional theory were performed to shed light on the nature of the electronic transitions. While the [Au(4-dmapy)(2)][AuCl2] (4-dmapy = 4-dimethylaminopyridine) and [Au(4-pic)(2)][AuCl2] (4-pic = 4-picoline) emissions were found to be mainly ligand in nature, their [PF6](-) counterparts involved a Au center dot center dot center dot Au-interaction imbedded in the highest occupied molecular orbital. [Au(4-dmapy)(2)][AuCl2] was found to be an efficient catalyst for Suzuki cross-coupling of aryl bromide and phenylboronic acid.

  DOI：

  10.1021/ic701872f