| 1252677-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1252677-05-6
• 化学式: Br*C₃₆H₃₀N₈*Na
• 分子量: 681.55
• InChiKey: JEIPYLZWKCCWON-SPLSAGKESA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  46.0
• 可旋转键数：
  0.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  83.82
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  praseodymium(III) chloride hexahydrate 、 以 乙腈 为溶剂， 反应 20.0h， 以5.6 mg的产率得到
  参考文献：
  名称：

  Anomalous Reversal of C–H and C–D Quenching Efficiencies in Luminescent Praseodymium Cryptates

  摘要：

  A series of selectively deuterated praseodymium cryptates has been synthesized. Their luminescence lifetimes in solution range from 150 to 595 ns for the (1)D(2) → (3)F(4) transition. Global fitting of the nonradiative deactivation rate differences of the isotopologic C-(H/D) oscillators revealed that aromatic C-D overtones anomalously quench the luminescence more than C-H vibrations. This is explained by the dominance of Franck-Condon overlap factors that greatly favor C-D oscillators, which are in almost ideal resonance with the relevant energy gap (1)D(2)-(1)G(4) of praseodymium.

  DOI：

  10.1021/ja306052u
• 作为产物：
  描述：

  [D₄]-6,6-bis(bromomethyl)-2,2’-bipyridine 、 2,17-diaza[3.3](6,6')-2,2'-bipyridinophane 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以40%的产率得到
  参考文献：
  名称：

  Quantification of C−H Quenching in Near-IR Luminescent Ytterbium and Neodymium Cryptates

  摘要：

  Two series of selectively deuterated cryptates with the lanthanoids Yb and Nd have been synthesized, and the luminescence lifetimes for the corresponding near-IR emission bands have been measured. Global fitting of these lifetime data combined with structural analysis allows for the accurate quantification of the contributions of individual C-H oscillators groups in the ligand to the nonradiative deactivation rates of the emissive lanthanoid states.

  DOI：

  10.1021/ja105768w