Re2(μ-Cl)2(CO)6(μ-4,5-(Me3Si)2pyridazine) | 1252770-19-6

• 英文名称: Re2(μ-Cl)2(CO)6(μ-4,5-(Me3Si)2pyridazine)
• CAS: 1252770-19-6
• 化学式: C₁₆H₂₀Cl₂N₂O₆Re₂Si₂
• 分子量: 835.836
• InChiKey: ATYGUOONRADICN-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  五羰基氯铼(I) 、 4,5-bis(trimethylsilyl)pyridazine 以 not given 为溶剂， 生成 Re2(μ-Cl)2(CO)6(μ-4,5-(Me3Si)2pyridazine)
  参考文献：
  名称：

  Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex

  摘要：

  The dinuclear complex [Re-2(mu-Cl)(2)(CO)(6)(mu-4,5-(Me3Si)(2)-pyridazine)] gives in the solid state two polymorphs (yellow, 1Y, and orange, 10), which can be either concomitantly or separately obtained on varying the crystallization rate. Both crystal phases exhibit intense photoluminescence from the lowest lying triplet metal-to-ligand charge transfer state, much stronger than in solution (quantum yields 0.56 and 0.52, for 10 and 1Y respectively, vs 0.06 in toluene), likely due to the restricted rotation of the Me3Si groups in the solid state. A clean, irreversible 10 -> 1Y single-crystal-to-single-crystal phase transition occurs at 443 K, as revealed by variable temperature X-ray diffraction analysis. In spite of the absence of any strong intermolecular interactions in both forms, 10 and 1Y show very different absorption and emission maxima (lambda(abs) 370 and 393 nm, lambda(em) 534 and 570 nm, for 1Y and 10, respectively). This behavior highlights the importance of the local organization of molecular dipoles in perturbing the photophysical properties of the molecule in the crystal.

  DOI：

  10.1021/ja106772v