cyclo-tris[μ(N,N)-3,5-diisopropyl-1,2,4-triazolategold(I)] | 910107-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: cyclo-tris[μ(N,N)-3,5-diisopropyl-1,2,4-triazolategold(I)]
• 英文别名: 3,5-Di(propan-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;gold(1+)
• CAS: 910107-74-3
• 化学式: C₂₄H₄₂Au₃N₉
• 分子量: 1047.56
• InChiKey: ZIQQQRXKEDXZMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3,5-二异丙基-1H-1,2,4-三唑 、 (tetrahydrothiophene)gold(I) chloride 在 NEt₃ 作用下， 以 甲醇 为溶剂， 以80%的产率得到cyclo-tris[μ(N,N)-3,5-diisopropyl-1,2,4-triazolategold(I)]
  参考文献：
  名称：

  Trinuclear Gold(I) Triazolates:  A New Class of Wide-Band Phosphors and Sensors

  摘要：

  A new cyclic gold(I) triazolate trimer, [Au(3,5-i-Pr(2)Tz)](3) (1), exhibits fully overlapping aurophilically bonded dimer-of-trimer units that lead to multiple phosphorescence bands in both the solid state and solution. The conformation of the hexanuclear unit exhibits reversible interconversion between C-2 and D-3 effective symmetries, depending on the crystal temperature or solution concentration, the variation of which leads to isoemissive and isosbestic points. Solutions of 1 exhibit remarkable quenching properties that demonstrate molecular recognition with high selectivity and hypersensitivity for some reagents, as influenced by protonation via Bronsted acids, pi intercalation, and/or energy transfer. The quenched phosphorescence of 1 by acetic acids can be regenerated by NEt3.

  DOI：

  10.1021/ic060943i