[RuCl3(2,2'-bipyridine)(SCN)] | 1000024-11-2

• 英文名称: [RuCl3(2,2'-bipyridine)(SCN)]
• CAS: 1000024-11-2
• 化学式: C₁₁H₈Cl₃N₃RuS*K
• 分子量: 460.798
• InChiKey: JYNVNOBKOJZJQX-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：

  mer-[RuCl₃(dimethyl sulfoxide)(2,2'-bipyridyl)] 、 potassium thioacyanate 以 水 、 丙酮 为溶剂， 以61.5%的产率得到[RuCl3(2,2'-bipyridine)(SCN)]
  参考文献：
  名称：

  Synthesis of mer-[RuCl3(DMSO)(bpy)], reactivity and electrochemistry of mer-[RuCl3(DMSO)(bpy)] and mer-[RuCl3(TMSO)(bpy)] complexes

  摘要：

  [H(DMSO)(2)][trans-RuCl4(DMSO)(2)] (1) reacts with 2,2'-bipyridine in ethanol at room temperature resulting in the formation of a major compound, mer-[RuCl3(DMSO)(bpy)] (bpy = 2,2'-bipyridine) 3 and a known minor compound, cis-[RuCl2(DMSO)(4)] (4). The compounds 3 and 4 are formed via an anticipated intermediate mer-[RuCl3(DMSO)(3)] (2). The reaction of 3 and mer-[RuCl3(TMSO)(bpy)] (5) with small molecules like imidazole, carbon monoxide and KSCN yield, mer-[RuCl3(bpy)(im)] center dot 2DMSO (im = imidazole) (6) and cis-[RUCl2(TMSO)(CO)(bpy)] (7), cis-[RuCl2(DMSO)(CO)(bpy)] (8) and K[RuCl3(bpy)(SCN)] (9), respectively. The formations of 3, 6 and 7 have been authenticated by single crystal structure determinations. Compound 6 is formed by the substitution of DMSO or TMSO from 3 and 5, respectively, whereas 7 and 8 are formed by unprecedented one-electron reductions of 5 and 3. The reactions of 3 and 5 with KSCN resulted in the same compound, K[RuCl3(NCS)(bpy)] (9). DFT calculations were performed to distinguish whether the thiocyanate ligand is bound to ruthenium through S or N. In the ruthenium bipyridine systems, the HOMO contains ruthenium d-orbitals and the LUMO is typically pi*-orbitals of the bipyridine ring. Complexes 3, 6 and 7 are redox active in acetone and DMSO solvent showing prominent a reduction peak and corresponding oxidation peak. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.08.016