| 862779-13-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 862779-13-3
• 化学式: C₃₄H₂₈BF₅Hg
• 分子量: 742.989
• InChiKey: XDMDDKQQTKMZBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.96
• 重原子数：
  41
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  、 三(二甲氨基)锍二氟三甲基硅酸 以 氯仿 为溶剂， 以89%的产率得到[((CH3)3C6H2)2Bμ2-FHgC6F5]C10H6(1-)
  参考文献：
  名称：

  A Heteronuclear Bidentate Lewis Acid as a Phosphorescent Fluoride Sensor

  摘要：

  Reaction of dimesityl-1,8-naphthalenediylborate (1) with C6F5HgCl results in the formation of a B/Hg heteronuclear bidentate Lewis acid (2), which complexes fluoride to afford [2-mu2-F]-. Structural and photophysical studies carried out in solution and in the solid state indicate that 2 is a highly selective and sensitive phosphorescent fluoride sensor. The proximity of the two Lewis acidic sites enforced by the 1,8-naphthalenediyl backbone promotes fluoride anion chelation and is, therefore, responsible for the high binding constant. The interplay of conjugative and spin-orbit coupling effects mediated by the boron and mercury atoms, respectively, results in the phosphorescent signaling of fluoride binding. Remarkably, fluoride binding occurs in partially aqueous solutions and results in a drastic change of the phosphorescence observed when the solutions are frozen.

  DOI：

  10.1021/ja053058s
• 作为产物：
  描述：

  pentafluorophenylmercury chloride 、 tetrakis(tetrahydrofuran)lithium dimesityl-1,8-naphthalenediylborate 以 四氢呋喃 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  A Heteronuclear Bidentate Lewis Acid as a Phosphorescent Fluoride Sensor

  摘要：

  Reaction of dimesityl-1,8-naphthalenediylborate (1) with C6F5HgCl results in the formation of a B/Hg heteronuclear bidentate Lewis acid (2), which complexes fluoride to afford [2-mu2-F]-. Structural and photophysical studies carried out in solution and in the solid state indicate that 2 is a highly selective and sensitive phosphorescent fluoride sensor. The proximity of the two Lewis acidic sites enforced by the 1,8-naphthalenediyl backbone promotes fluoride anion chelation and is, therefore, responsible for the high binding constant. The interplay of conjugative and spin-orbit coupling effects mediated by the boron and mercury atoms, respectively, results in the phosphorescent signaling of fluoride binding. Remarkably, fluoride binding occurs in partially aqueous solutions and results in a drastic change of the phosphorescence observed when the solutions are frozen.

  DOI：

  10.1021/ja053058s

文献信息

• A Heteronuclear Bidentate Lewis Acid as a Phosphorescent Fluoride Sensor
  作者：Mohand Melaimi、François P. Gabbaï

  DOI：10.1021/ja053058s

  日期：2005.7.13

  Reaction of dimesityl-1,8-naphthalenediylborate (1) with C6F5HgCl results in the formation of a B/Hg heteronuclear bidentate Lewis acid (2), which complexes fluoride to afford [2-mu2-F]-. Structural and photophysical studies carried out in solution and in the solid state indicate that 2 is a highly selective and sensitive phosphorescent fluoride sensor. The proximity of the two Lewis acidic sites enforced by the 1,8-naphthalenediyl backbone promotes fluoride anion chelation and is, therefore, responsible for the high binding constant. The interplay of conjugative and spin-orbit coupling effects mediated by the boron and mercury atoms, respectively, results in the phosphorescent signaling of fluoride binding. Remarkably, fluoride binding occurs in partially aqueous solutions and results in a drastic change of the phosphorescence observed when the solutions are frozen.