[Pb(1,10-phenanthroline)(O2CCH3)(O2NO)] | 403831-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Pb(1,10-phenanthroline)(O2CCH3)(O2NO)]
• CAS: 403831-23-2
• 化学式: C₂H₃O₂*C₁₂H₈N₂*NO₃*Pb
• 分子量: 508.458
• InChiKey: DLKKTPDGDCXBNH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  23.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  132.11
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 lead(II) nitrate 、 lead acetate 以 甲醇 为溶剂， 生成 [Pb(1,10-phenanthroline)(O2CCH3)(O2NO)]
  参考文献：
  名称：

  A New Polymer of Mixed-Anions Complex [Pb(phen)(O2CCH3)(O2NO)]n (phen = 1,10-phenanthroline)

  摘要：

  The single crystal X-ray data of a mixed anions complex of Pb-II with 1,10-Phenantroline, [Pb(phen)(O2CCH3)-(O2NO)], shows the complex to be polymeric as a result of acetate ligand bridging. The Pb atom has an asymmetrical eightfold coordination of two nitrogen atoms of the 1,10-phenanthroline ligand and six oxygen atoms of the nitrate and acetate anions. The arrangement of the 1,10-phenantroline ligand, acetate and nitrate anions suggest a gap in the coordination around the Pb-II ion, occupied possibly by a stereoactive lone pair of electrons on lead(II) where the coordination around the lead atoms is hemidirected. There is a pi-pi stacking interaction between the parallel aromatic rings of an adjacent chain in the compound which might help to increase the 'gap' in the coordination around the Pb-II ion.

  DOI：

  10.1002/1521-3749(200201)628:1<12::aid-zaac12>3.0.co;2-q