Au3(i-PrN=COMe)3 | 861998-83-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Au3(i-PrN=COMe)3
• CAS: 861998-83-6
• 化学式: C₁₅H₃₀Au₃N₃O₃
• 分子量: 891.321
• InChiKey: AYXAUDFTAYIROA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  甲醇 、 (三苯基胂)金(I)氯化物 、 异氰化异丙酯 在 KOH 作用下， 以 甲醇 为溶剂， 生成 Au3(i-PrN=COMe)3
  参考文献：
  名称：

  Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes:  Insight into the Solvoluminescence of Au^I₃(MeNCOMe)₃

  摘要：

  The trinuclear complex, Au-3(1)(MeN=COMe)(3), which displays a number of remarkable properties including solvoluminescence, has been found to crystallize as three polymorphs. The new triclinic and monoclinic polymorphs crystallized as colorless blocks, whereas the original hexagonal polymorph formed colorless needles. These polymorphs differ in the manner in which the nearly planar molecules pack and in the nature of the aurophilic interactions between them. Each of the three polymorphs of AU(3)(1)(MeN=COMe)(3) shows a distinctive emission spectrum, but only the original hexagonal polymorph shows the low-energy emission that is responsible for its solvoluminescence, Colorless Au-3(1)(n-PentN=COMe)(3) crystallized from diethyl ether as needles of an orthorhombic polymorph and blocks of a triclinic polymorph. These polymorphs differ in the orientation of the n-Pent substituents, in the orientation of the trimers with respect to one another, and in the nature of the aurophilic interactions between the molecules. Only the triclinic polymorph of Au-3(1)(n-PentN=COMe)(3) shows luminescence at room temperature, but it is not solvoiuminescent. Colorless Au-3(1)(i-PrN=COMe)(3) has also been prepared and crystal lographically characterized. The isopropyl groups protrude out of the plane of the nine-membered ring and prevent self-association. The closest (AuAu)-Au-... contact between molecules is 6.417 angstrom. Crystalline Au-3(1)(i-PrN=COMe)(3) is not luminescent at room temperature.

  DOI：

  10.1021/ic050381n