| 155022-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 155022-30-3
• 化学式: C₁₂H₈N₂OS₄W
• 分子量: 508.322
• InChiKey: NRCGTFKXPINHEL-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 bis(tetraethylammonium) tetrathiotungstate 在 H₂O 作用下， 以 盐酸 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Evidence of the W(O)(S2)2 core as an intermediate in the acidification of WS42−. Structural characterization of W(O)(S2)2(bpy) and W(O)(S2)2(phen)

  摘要：

  Acidification Of WS42- by HCl in MeCN in the presence of 2,2'-bipyridine (bpy) led to the discrete mononuclear compound W(O)(S2)2(bpy) (1) isolated at room temperature as crystals:monoclinic, space group C2/c, a = 25.670(8), b = 8.472(3), c = 12.466(4) angstrom, beta = 106.26(3)-degrees, V = 2603 angstrom3, Z = 8, R = 0.061. W(O)(S2)2(bpy) (2) was obtained by reaction of [Ni(bpy)2]Cl2 with WS42-, followed by crystallization at -30-degrees-C, monoclinic, space group P2(1)/n, a = 8.875(7), b = 12.205(6), c = 12.363(3) angstrom, beta = 90.12(5)-degrees, V = 1339(l) angstrom3, Z = 4, R = 0.062. Compounds 1 and 2 differ in their stackings. The alignment of the bpy ligands in 1 is parallel; in 2 the alignment is nearly perpendicular. Addition of 1,10-phenanthroline (phen) under the same conditions of acidity yielded W(O)(S2)2(phen) (3) isolated at room temperature as crystals: monoclinic, P2(1) a = 6.798(4), b = 14.807(5), c = 7.048(2) angstrom, beta = 92.25(3)-degrees, V = 709 angstrom3, Z = 2. The three complexes can all be described as a W-pentagonal bipyramid, with four sulfur atoms and a nitrogen atom forming the equatorial plane, the two axial positions being occupied by the remaining nitrogen atom of the bpy ligand and an oxo group. Formation of the W(O)(S2)2 core in solution is postulated through a redox process involving elemental sulfur produced in situ.

  DOI：

  10.1016/0020-1693(93)03733-q