| 262379-81-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• CAS: 262379-81-7
• 化学式: C₆RuS₁₀*C₁₆H₃₆N
• 分子量: 736.265
• InChiKey: VAERVVHPWXBADF-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  34.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 碘 以 二氯甲烷 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Preparation and spectroscopic properties of bis(2,2′-bipyridine)-ruthenium(II) complexes and related complexes with sulfur-rich dithiolato ligands and electrical conductivities of their oxidized species

  摘要：

  Ru(bpy)(2)L [bpy = 2,2'-bipyridine; L = C3S52- (4,5-disulfanyl-1,3-dithiole-2-thionate(2 -)) or C8H4S82- [2-{(4,5-ethylenedithio)-1,3-dithiole-2-ylidene}-1,3-dithiole-4,5-dithionate(2-)] and [NBu4n][Ru(C3S5)(2)] were prepared. The Ru(bpy)2L (L = C3S52- and C8H4S82-) complexes exhibit Ru(II)/Ru(III) redox potentials of - 0.05 and - 0.35 V (vs. SCE), respectively, and the dithiolate ligands are further oxidized at + 0.62 and + 0.26 V (vs. SCE). [NBU4n][Ru(C3S5)(2)] is oxidized at + 0.25 V (vs. SCE) in the C3S5 ligand, the Ru(III) ion being reduced to the Ru(II) ion at - 0.32 V. The Ru(bpy)(2)L complexes were oxidized by iodine to afford essentially one-electron and over two-electron oxidized species as solids, where the metal oxidation occurs in the former species and the dithiolate ligands are further oxidized in the latter species. [NBu4n][Ru(C3S5)(2)] was oxidized by iodine to give [NBu4n](0.1)[Ru(C3S5)(2)]. The oxidized species [Ru(bpy)(2)(C8H4S8)](I-3)(2.1) and [NBu4n](0.1)[Ru(C3S5)(2)] exhibit electrical conductivities of 2.0 x 10(-4) and 1.8 x 10(-3) S cm(-1), respectively, measured for compacted pellets at room temperature, while the conductivities of the other oxidized species obtained are small (< 10(-6) S cm(-1)). Electronic states of the complexes are discussed on the basis of IR, electronic absorption, and ESR spectra. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00475-2
• 作为产物：
  描述：

  水合三氯化钌 、 四丁基溴化铵 、 4,5-双(苯甲酰硫基)-1,3-二硫杂环戊烯-2-硫酮 在 Na 作用下， 以 乙醇 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Preparation and spectroscopic properties of bis(2,2′-bipyridine)-ruthenium(II) complexes and related complexes with sulfur-rich dithiolato ligands and electrical conductivities of their oxidized species

  摘要：

  Ru(bpy)(2)L [bpy = 2,2'-bipyridine; L = C3S52- (4,5-disulfanyl-1,3-dithiole-2-thionate(2 -)) or C8H4S82- [2-{(4,5-ethylenedithio)-1,3-dithiole-2-ylidene}-1,3-dithiole-4,5-dithionate(2-)] and [NBu4n][Ru(C3S5)(2)] were prepared. The Ru(bpy)2L (L = C3S52- and C8H4S82-) complexes exhibit Ru(II)/Ru(III) redox potentials of - 0.05 and - 0.35 V (vs. SCE), respectively, and the dithiolate ligands are further oxidized at + 0.62 and + 0.26 V (vs. SCE). [NBU4n][Ru(C3S5)(2)] is oxidized at + 0.25 V (vs. SCE) in the C3S5 ligand, the Ru(III) ion being reduced to the Ru(II) ion at - 0.32 V. The Ru(bpy)(2)L complexes were oxidized by iodine to afford essentially one-electron and over two-electron oxidized species as solids, where the metal oxidation occurs in the former species and the dithiolate ligands are further oxidized in the latter species. [NBu4n][Ru(C3S5)(2)] was oxidized by iodine to give [NBu4n](0.1)[Ru(C3S5)(2)]. The oxidized species [Ru(bpy)(2)(C8H4S8)](I-3)(2.1) and [NBu4n](0.1)[Ru(C3S5)(2)] exhibit electrical conductivities of 2.0 x 10(-4) and 1.8 x 10(-3) S cm(-1), respectively, measured for compacted pellets at room temperature, while the conductivities of the other oxidized species obtained are small (< 10(-6) S cm(-1)). Electronic states of the complexes are discussed on the basis of IR, electronic absorption, and ESR spectra. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00475-2