[Zn(5-methylisophthalate)(4,4'-dipyridylsulfide)]n | 1447839-89-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [Zn(5-methylisophthalate)(4,4'-dipyridylsulfide)]n
• CAS: 1447839-89-5
• 化学式: C₉H₆O₄*C₁₀H₈N₂S*Zn
• 分子量: 431.787
• InChiKey: XPBJQYBPTGHOED-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4,4'-联吡啶二硫醚 、 5-甲基间苯二酸 、 zinc(II) acetate dihydrate 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 生成 [Zn(5-methylisophthalate)(4,4'-dipyridylsulfide)]n
  参考文献：
  名称：

  A New Zinc(II) Coordination Polymer Based on 5-Methylisophthalic Acid and 4,4′-Dipyridylsulfide: Synthesis, Structure, and Photoluminescent Properties

  摘要：

  The use of both 5-methylisophthalic acid (H2mip) and 4,4-dipyridyldisulfide (dpds) with Zn(II) ion under hydrothermal conditions has provided a new zinc(II) coordination polymer, [Zn(mip)(dps)]n (1), and it has been characterized by elemental analysis, FT-IR spectroscopy, and X-ray single-crystal diffraction. The starting reagent dpds ligand was converted to dps (4,4-dipyridylsulfide) in the resulting complex. It crystallizes in monoclinic space group P21/n with a=12.0091(12), b=10.9122(11), c=13.4699(14) angstrom, =95.1890(10)degrees, C19H14N2O4SZn, Mr =431.75, V=1757.9(3) angstrom 3, Z=4, =1.545mm-1, Dc =1.631g center dot cm-1, F(000)=880, R=0.0380, wR=0.1050 (I > 2 sigma(I)). The title complex has a 3-D 4-fold interpenetrating diamondoid network with (66) topology. Photoluminescence measurements show that 1 has medium fluorescent emissions at 458nm and 543nm upon excitation at 322nm.

  DOI：

  10.1080/15533174.2012.740752