| 1259327-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1259327-22-4
• 化学式: C₄₈H₇₂N₁₄O₁₆
• 分子量: 1101.18
• InChiKey: BMZDKAZRTUHMCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.21
• 重原子数：
  78.0
• 可旋转键数：
  25.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  391.9
• 氢给体数：
  10.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 、 顺-双(2,2-二吡啶)二氯化钌(II) 水合物 以 乙醇 为溶剂， 以33%的产率得到cis-bis(2,2'-bipyridine)Ru(C10H6N2(CONHC2H4NHCOCH2N(CH2)8(NCH2COOH)3)2)(CF3COO)2
  参考文献：
  名称：

  Synthesis and Photophysical Properties of Ln ^III –DOTA–Bipy Complexes and Ln ^III –DOTA–Bipy–Ru ^II Coordination Conjugates

  摘要：

  AbstractThe synthesis and the systematic and comparative photophysical study of a series of visible (EuIII, TbIII) and NIR‐emitting (NdIII, YbIII) lanthanide complexes (Ln2L) and ruthenium–lanthanide coordination conjugates (Ln2LRu) are reported. The GdIII complex, the GdIII–RuII coordination conjugate, as well as the RuII complex of the ligand H6L have also been synthesized and photophysically studied as control systems. The ligand H6L, composed of a central bipyridine binding unit and functionalized on each 5′‐position with a DOTA macrocycle, has been successfully synthesized from cyclen, 5,5′‐dimethyl‐2,2′‐bipyridine and 1,2‐ethylendiamine in a nine‐step process. Detailed luminescence studies of all complexes, including the determination of the quantum yield and lifetime, were carried out on finely powdered microcrystalline samples as well as in water, deuterated water and [D6]DMSO at ambient (295 K) and low temperature (77 K). The photophysical data corroborate the existence of energy transfer in the Ln2L complexes and in the Nd2LRu coordination conjugate. However, no (or at most, very little) energy transfer is takes place from the Ru(bipy)3 chromophore to the LnIII ion in the other Ln2LRu heteropolymetallic complexes. Moreover, the photophysical studies reveal that all the complexes and coordination conjugates adopt different conformations and hydration states in solution and in the solid state, which influences the efficiency of the energy transfer between the bipy and/or Ru(bipy)3 antennae and the LnIII ions.

  DOI：

  10.1002/ejic.201000517