| 1370636-60-4

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 1370636-60-4
• 化学式: CF₃O₃S*C₇₆H₅₄AuO₈P₂
• 分子量: 1503.24
• InChiKey: HEOIAGNGVHGJIY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  16.35
• 重原子数：
  95.0
• 可旋转键数：
  12.0
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  131.04
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  10,12,20,22-Tetramethoxy-16-phenyl-16-phosphaoctacyclo[15.12.0.02,15.03,8.04,28.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18(23),19,21,24,26,28-tetradecaene 、 (2,4,11,13-tetramethoxy-15-phenyl-15H-15l5-benzo[g]benzo[5,6]tetraceno[11,12,1-bcde]phosphindol-15-yl)gold(II) chloride 、 silver trifluoromethanesulfonate 生成
  参考文献：
  名称：

  Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons

  摘要：

  A synthetic route to planar P-modified polycylic aromatic hydrocarbons (PAHs) is described. The presence of a reactive sigma(3),lambda(3)-P moiety within the sp(2)-carbon scaffold allows the preparation of a new family of PAHs displaying tunable optical and redox properties. Their frontier molecular orbitals (MOs) are derived from the corresponding phosphole MOs and show extended conjugation with the entire pi framework. The coordination ability of the P center allows the coordination-driven assembly of two molecular PAHs onto a Au-I ion.

  DOI：

  10.1021/ja300171y

文献信息

• Coordination Complexes of P-Containing Polycyclic Aromatic Hydrocarbons: Optical Properties and Solid-State Supramolecular Assembly
  作者：François Riobé、Rózsa Szűcs、Christophe Lescop、Régis Réau、László Nyulászi、Pierre-Antoine Bouit、Muriel Hissler

  DOI：10.1021/acs.organomet.6b00715

  日期：2017.7.24

  A series of complexes including sigma(3),lambda(3) -P-modified polycyclic aromatic hydrocarbon (PAH) as a ligand have been prepared showing that the ligand possesses a classical "phosphine-like" reactivity. The use of different metals (Pd(II), Cu(I), Re(I), Au(I)) having different coordination number allows tuning the optical properties of the complexes, which is dominated basically by the electronic transitions of the ligand itself. The study of the solid-state properties by mean of X-ray diffraction also shows that the combination of coordination chemistry and pi-stacking interactions between the PAH ligand allows obtaining a great diversity of solid-state structures.