| 1431045-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1431045-55-4
• 化学式: C₅₂H₇₂N₂O₆P₄Pt₂
• 分子量: 1335.21
• InChiKey: LVAZUCJPKHSQNR-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：

  1,3-bis(4-pyridylethynyl)benzene 、 以 水 、 丙酮 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Construction of Supramolecular Pyrene-Modified Metallacycles via Coordination-Driven Self-Assembly and Their Spectroscopic Behavior

  摘要：

  The design and self-assembly of novel multipyrene hexagonal metallacycles via coordination-driven self-assembly is described. By employing newly designed 120 degrees dipyridine donor and di-Pt(II) acceptor linkers substituted with pyrene, a variety of tris- and hexakis(pyrene) hexagonal metallacycles with well-defined shape and size were prepared via [3 + 3] and [6 + 6] self-assembly, respectively, under mild conditions in high yields. The structures of these novel metallacycles were well characterized by multinuclear NMR (P-31 and H-1) spectroscopy, cold-spray ionization time-of-flight mass spectrometry (CSI-TOF-MS), electrospray ionization time-of-flight mass spectrometry (ESI-TOF-MS), and elemental analysis. The shape and size of all hexagonal metallacycles were investigated by the PM6 semiempirical molecular orbital method. The preliminary study of their spectroscopic behavior was also carried out. It was found that these pyrene-modified metallacycles displayed different optical behaviors, which might be caused by the structural effects.

  DOI：

  10.1021/om301108s
• 作为产物：
  描述：

  Trimethyl-[2-[3-(2-pyren-1-ylethynyl)-5-(2-trimethylsilylethynyl)phenyl]ethynyl]silane 在 copper(l) iodide 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 二乙胺 为溶剂， 反应 27.0h， 生成
  参考文献：
  名称：

  Construction of Supramolecular Pyrene-Modified Metallacycles via Coordination-Driven Self-Assembly and Their Spectroscopic Behavior

  摘要：

  The design and self-assembly of novel multipyrene hexagonal metallacycles via coordination-driven self-assembly is described. By employing newly designed 120 degrees dipyridine donor and di-Pt(II) acceptor linkers substituted with pyrene, a variety of tris- and hexakis(pyrene) hexagonal metallacycles with well-defined shape and size were prepared via [3 + 3] and [6 + 6] self-assembly, respectively, under mild conditions in high yields. The structures of these novel metallacycles were well characterized by multinuclear NMR (P-31 and H-1) spectroscopy, cold-spray ionization time-of-flight mass spectrometry (CSI-TOF-MS), electrospray ionization time-of-flight mass spectrometry (ESI-TOF-MS), and elemental analysis. The shape and size of all hexagonal metallacycles were investigated by the PM6 semiempirical molecular orbital method. The preliminary study of their spectroscopic behavior was also carried out. It was found that these pyrene-modified metallacycles displayed different optical behaviors, which might be caused by the structural effects.

  DOI：

  10.1021/om301108s

文献信息

• Self-assembly of Pyrene-modified Rhomboidal Metallodendrimers<i>via</i>Directional Metal-ligand Bonding Approach
  作者：Menglan He、Qing Han、Jiuming He、Quanjie Li、Zeper Abliz、Hongwei Tan、Lin Xu、Haibo Yang

  DOI：10.1002/cjoc.201300247

  日期：2013.5

  The design and self‐assembly of pyrene‐modified rhomboidal metallodendrimers R1–R6 via directional metal‐ligand bonding approach is described. By employing pyrene‐containing 120° di‐Pt(II) acceptor and appropriate 60° dendritic dipyridyl donors, a variety of [G‐1]–[G‐3] pyrene‐modified rhomboidal metallodendrimers with well‐defined shape and size were prepared under mild conditions in high yields.

  介绍了通过定向金属-配体键合方法设计和修饰pyr修饰的菱形金属树枝状大分子R1 - R6 。通过使用含pyr的120°di-Pt（II）受体和适当的60°树枝状二吡啶基供体，制备了各种[ G-1 ]-[ G-3 ] pyr改性的菱形金属树状大分子在温和条件下高产。超分子树状大分子通过多核NMR（1 H和31P）和质谱（CSI-TOF-MS）。同位素分辨质谱数据支持存在带有菱形腔的pyr修饰的树枝状大分子的存在，而NMR数据与所有集合体的形成都一致。使用PM6半经验分子轨道方法研究了所有菱形树枝状大分子的形状和大小。还研究了它们的主要光化学性质。