NBu4[Au(2-bromotetrafluorophenyl)2] | 1036240-30-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: NBu4[Au(2-bromotetrafluorophenyl)2]
• CAS: 1036240-30-8
• 化学式: C₁₂AuBr₂F₈*C₁₆H₃₆N
• 分子量: 895.362
• InChiKey: UZSPKVNHABBPMG-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：
  None
• 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

• 作为反应物：
  描述：

  NBu4[Au(2-bromotetrafluorophenyl)2] 以 四氢呋喃 为溶剂， 生成 (NBu4[Tl(Au(2-bromotetrafluorophenyl)2)2)n
  参考文献：
  名称：

  1,2-Dibromo- and 1,2-Diiodotetrafluorobenzene as Precursors of Anionic Homo- and Heterometallic Gold Complexes

  摘要：

  By reaction of LiR and [AuCl(tht)] the new organometallic compounds NBu4[AuR2] (R = 2-C6BrF4 (1), 2-C6F4I (2)) have been prepared. They react with TlPF6 in different molar ratios yielding anionic extended chains with the stoichiometries {NBu4[Tl-2(AuR2)(3)]}(n), (R = 2-C6BrF4 (3), 2-C6F4I (4)) and {NBu4[Tl(AuR2)(2)]}(n) (R = 2-C6BrF4 (5), 2-C6F4I (6)). The crystal structures of 3 and 4 consist of anionic chains formed by association of loosely bound Au2Tl2 clusters interconnected by [AuR2](-) anions via unsupported Au center dot center dot center dot Tl interactions, while 5 shows infinite polymetallic Au/Tl chains with an additional [AuR2](-) fragment bonded to each Tl-1 via unsupported Au center dot center dot center dot Tl contacts. The heterometallic bromotetrafluorophenyl complexes 3 and 5 display luminescence in the solid state, which is assigned to excited states that appear as result of the interactions between the metal centers. At 77 K different emissions appear in glassy solutions, which are assigned to the presence of oligomers of different length. In the case of the iodotetrafluorophenyl derivatives, in spite of presenting similar structures, complex 4 is weakly luminescent and complex 6 is nonluminescent both in the solid state at room temperature and at 77 K and in glassy solutions. This result is probably a consequence of the heavy-atom effect (HAE) due to the presence of iodine instead of bromine, which in the case of complex 4 provokes a reduction of the intensity if compared with its homologous compound 3 and which in 6 leads to the total quenching of the emission.

  DOI：

  10.1021/om8000586
• 作为产物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 四丁基溴化铵 、 Lithium, (2-bromo-3,4,5,6-tetrafluorophenyl)- 以 乙醚 为溶剂， 以90%的产率得到NBu4[Au(2-bromotetrafluorophenyl)2]
  参考文献：
  名称：

  1,2-Dibromo- and 1,2-Diiodotetrafluorobenzene as Precursors of Anionic Homo- and Heterometallic Gold Complexes

  摘要：

  By reaction of LiR and [AuCl(tht)] the new organometallic compounds NBu4[AuR2] (R = 2-C6BrF4 (1), 2-C6F4I (2)) have been prepared. They react with TlPF6 in different molar ratios yielding anionic extended chains with the stoichiometries {NBu4[Tl-2(AuR2)(3)]}(n), (R = 2-C6BrF4 (3), 2-C6F4I (4)) and {NBu4[Tl(AuR2)(2)]}(n) (R = 2-C6BrF4 (5), 2-C6F4I (6)). The crystal structures of 3 and 4 consist of anionic chains formed by association of loosely bound Au2Tl2 clusters interconnected by [AuR2](-) anions via unsupported Au center dot center dot center dot Tl interactions, while 5 shows infinite polymetallic Au/Tl chains with an additional [AuR2](-) fragment bonded to each Tl-1 via unsupported Au center dot center dot center dot Tl contacts. The heterometallic bromotetrafluorophenyl complexes 3 and 5 display luminescence in the solid state, which is assigned to excited states that appear as result of the interactions between the metal centers. At 77 K different emissions appear in glassy solutions, which are assigned to the presence of oligomers of different length. In the case of the iodotetrafluorophenyl derivatives, in spite of presenting similar structures, complex 4 is weakly luminescent and complex 6 is nonluminescent both in the solid state at room temperature and at 77 K and in glassy solutions. This result is probably a consequence of the heavy-atom effect (HAE) due to the presence of iodine instead of bromine, which in the case of complex 4 provokes a reduction of the intensity if compared with its homologous compound 3 and which in 6 leads to the total quenching of the emission.

  DOI：

  10.1021/om8000586