di(4-pyridyl)disulfide gold(III) trichloride | 959412-71-6

• 英文名称: di(4-pyridyl)disulfide gold(III) trichloride
• CAS: 959412-71-6
• 化学式: C₁₀H₈AuCl₃N₂S₂
• 分子量: 523.644
• InChiKey: BZUNPAPCKPFALE-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  4,4'-联吡啶二硫醚 、 四氯金酸水合物 以 甲醇 、 氯仿 为溶剂， 以77%的产率得到di(4-pyridyl)disulfide gold(III) trichloride
  参考文献：
  名称：

  Coordination of Pyridinethiols in Gold(I) Complexes

  摘要：

  High-yield synthesis of gold(I) thionato complexes, bis(pyridine-2-thionato)gold(I) chloride (1) and bis(pyridine-4-thionato)gold(I) chloride (2), are described. According to their solid-state structures, a linear coordination of Au(I), equiplanar coordination of the ligands and two weak gamma-agostic interactions are found in both of these complexes despite of different relative positions of N and S atoms in the pyridinethionato ligands. Density functional theory calculations on 1 and 2 reproduce the observed X-ray structures. Even though the C-H...Au interactions of Au(I) and two pyridine moieties (2.83 and 2.88 A in 1 and 2.86 A in 2) are relatively weak, according to calculations they seem to provide further stabilization for the coordination and orientation of the ligands. In 1 the shortest Au...Au distances of 3.50 A indicate that aurophilic interactions, even though weak, are present in the solid state, whereas in 2 these interactions are absent.

  DOI：

  10.1021/ic700453t