[Pb2(4-thiazolidinone-2-thione(-H))2] | 1335247-47-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: [Pb2(4-thiazolidinone-2-thione(-H))2]
• CAS: 1335247-47-6
• 化学式: C₆H₄N₂O₂Pb₂S₄
• 分子量: 678.774
• InChiKey: JYYVSLLPIQBKIW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  罗丹宁 、 lead(II) acetate trihydrate 以 水 为溶剂， 生成 [Pb2(4-thiazolidinone-2-thione(-H))2]
  参考文献：
  名称：

  Insight into coordination of dilead unit by molecules of 4-thiazolidinone-2-thione: Structural and computational studies

  摘要：

  The reaction of Pb(2+) ions with 4-thiazolidinone-2-thione (Hrd) yields to coordination of the uncommon dilead unit (Pb(2)(2+)) by the N-deprotonated molecule of the ligand. The powder structure determination of the complex reveals an almost planar dimeric structure with the {N,S} coordination mode. The intermolecular distance of the Pb-Pb moiety (3.51(4) angstrom) is lower than the van der Waals parameter suggesting the formation of a bond. The structure in the solid state and DFT calculations of molecular orbitals and the presence of a bond critical point between the lead atoms clearly demonstrate the existence of a single bond within the Pb-Pb unit formed by the 6p orbital electrons. The lone pairs of the 6s orbitals do not participate in bonding with the ligand atoms and are likely bisdirected. FT-IR and FT-Raman spectra confirm the molecular structure since all the modes of the NH group disappear in the spectra of the complex, while the stretching mode of the C=S bond shifts to lower values, as would be expected for this coordination fashion. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.07.030