silver(I) 1-pyrenesulfonate | 790248-56-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: silver(I) 1-pyrenesulfonate
• CAS: 790248-56-5
• 化学式: Ag*C₁₆H₉O₃S
• 分子量: 389.18
• InChiKey: MNHMOCBPYBUAEV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-芘磺酸 、 silver carbonate 以 乙腈 为溶剂， 以86%的产率得到silver(I) 1-pyrenesulfonate
  参考文献：
  名称：

  Silver(I) Arylsulfonates:  A Systematic Study of “Softer” Hybrid Inorganic−Organic Solids

  摘要：

  The present study represents the first systematic examination of the effects on the layered structure of simple silver aryl-monosulfonates as the breadth of the pendant aryl group is increased beyond that where a simple "phosphonate-like" motif is sustainable. Five new silver arenesulfonates are reported. On the basis of comparison with Ag benzenesulfonate, a threshold of similar to6.4 Angstrom is proposed and confirmed as the critical breadth of an aryl group for a simple layered motif to be observed in silver sulfonates. Ag 1,1'-biphenyl-4-sulfonate (1) and Ag 2-naphthalenesulfonate (2) are below this threshold and so form simple layered networks, termed type 1 solids. When the pendant group is broadened to a 1-naphthyl group, the layer incorporates coordinated water to maintain a layered structure giving Ag 1-naphthalenesulfonate hemihydrate (3a). This more diffuse structure is termed a type 2 solid. For anhydrous Ag 1-naphthalenesulfonate (3) and Ag 1-pyrenesulfonate (4), the additional breadth is compensated for by the formation of Ag-pi interactions and the formation of type 3 solids. Interactions between the pendant groups are observed to play a significant role in the packing of the solid. All frameworks are characterized by single crystal and powder X-ray diffraction, IR, DSC-TGA, and elemental analysis. The significance of this adaptable framework is discussed along with implications for design of stacked arene arrays.

  DOI：

  10.1021/ic0491229