1,2,3,4,5-pentachlorobenzene-6-ide;rhodium(3+) | 220666-03-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 1,2,3,4,5-pentachlorobenzene-6-ide;rhodium(3+)
• CAS: 220666-03-5
• 化学式: C₁₈Cl₁₅Rh
• 分子量: 850.899
• InChiKey: NYPZDBOCTFQSFZ-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  吡唑 、 1,2,3,4,5-pentachlorobenzene-6-ide;rhodium(3+) 以 二氯甲烷 为溶剂， 生成 1,2,3,4,5-pentachlorobenzene-6-ide;1H-pyrazole;rhodium(3+)
  参考文献：
  名称：

  Reactivity of rhodium(III) complexes containing chelating pentachlorophenyl ligands. Molecular structures of fac-[Rh(C6Cl5)3(py)] and mer-[Rh(C6Cl5)3(tBuNC)3]

  摘要：

  The reactions of the octahedral rhodium(III) complexes [Rh(C6Cl5)(3)] and [Rh(C6Cl5)(3)CI](-) with neutral monodentate ligands have been studied. With pyridine, triethylphosphine or pyrazole, one of the rhodium-o-chloro bonds of the starting materials is broken and complexes of formula [Rh(C6Cl5)(3)L] and [Rh(C6Cl5)(3)CIL](-) are obtained. Carbonylation of [Rh(C6Cl5)(3)] produces the insertion of CO molecules in two of the Rh-C-aryl bonds giving the diacyl complex [Rh{C(O)C6Cl5}(2)(C6Cl5)(CO)], while the reaction of [Rh(C6Cl5)(3)] or [Rh(C6Cl5)(3)Cl](-) with the strong sigma -donor ligand 'BuNC breaks all the rhodium-o-chloro interactions producing the compound mer-[Rh(C6Cl5)(3)('BuNC)(3)]. All the complexes are stable to the air and moisture in the solid state and moderately stable in deoxygenated solutions. The compounds have been studied and characterised by IR, NMR and MS. The crystal structures of fac-[Rh(C6Cl5)(3)(py)] and mer-[Rh(C6Cl5)(3)('BuNC)(3)] have been determined by X-ray diffraction methods. They display distorted octahedral metal environments but, while the pyridine complex shows two C6Cl5 groups acting as chelate ligands bonded through the ipso-C atom and one of the o-Cl atoms, the isocyanide complex exhibits all the coordinated ligands acting as monodentate groups. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00202-4
• 作为产物：
  描述：

  氰胺 、 生成 1,2,3,4,5-pentachlorobenzene-6-ide;rhodium(3+)
  参考文献：
  名称：

  Reactivity of rhodium(III) complexes containing chelating pentachlorophenyl ligands. Molecular structures of fac-[Rh(C6Cl5)3(py)] and mer-[Rh(C6Cl5)3(tBuNC)3]

  摘要：

  The reactions of the octahedral rhodium(III) complexes [Rh(C6Cl5)(3)] and [Rh(C6Cl5)(3)CI](-) with neutral monodentate ligands have been studied. With pyridine, triethylphosphine or pyrazole, one of the rhodium-o-chloro bonds of the starting materials is broken and complexes of formula [Rh(C6Cl5)(3)L] and [Rh(C6Cl5)(3)CIL](-) are obtained. Carbonylation of [Rh(C6Cl5)(3)] produces the insertion of CO molecules in two of the Rh-C-aryl bonds giving the diacyl complex [Rh{C(O)C6Cl5}(2)(C6Cl5)(CO)], while the reaction of [Rh(C6Cl5)(3)] or [Rh(C6Cl5)(3)Cl](-) with the strong sigma -donor ligand 'BuNC breaks all the rhodium-o-chloro interactions producing the compound mer-[Rh(C6Cl5)(3)('BuNC)(3)]. All the complexes are stable to the air and moisture in the solid state and moderately stable in deoxygenated solutions. The compounds have been studied and characterised by IR, NMR and MS. The crystal structures of fac-[Rh(C6Cl5)(3)(py)] and mer-[Rh(C6Cl5)(3)('BuNC)(3)] have been determined by X-ray diffraction methods. They display distorted octahedral metal environments but, while the pyridine complex shows two C6Cl5 groups acting as chelate ligands bonded through the ipso-C atom and one of the o-Cl atoms, the isocyanide complex exhibits all the coordinated ligands acting as monodentate groups. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00202-4

文献信息

• Synthesis of the homoleptic rhodium(III) complex [Rh(C6Cl5)3]. Molecular structures of [Rh(C6Cl5)3] and [Rh(C6Cl4–C6Cl4)(C6Cl5)(SC4H8)2]
  作者：María P. García、M. Victoria Jiménez、Fernando J. Lahoz、José A. López、Luis A. Oro

  DOI：10.1039/a806538a

  日期：——

  arylation of [RhCl3(SC4H8)3] (SC4H8 = tetrahydrothiophene, tht) with the Grignard reagent MgCl(C6Cl5), under different reaction conditions, afforded the neutral rhodium(III) complexes [Rh(C6Cl5)3] 1 and [Rh(C6Cl4–C6Cl4)(C6Cl5)(tht)2] 2 as well as the paramagnetic rhodium(II) compound [Rh(C6Cl5)2(tht)2] 3. The homoleptic complex 1 can also be obtained by treatment of [P(CH2Ph)Ph3][RhCl(C6Cl5)3] with AgClO4

  [RhCl 3（SC 4 H 8）3 ]（SC 4 H 8  =四氢噻吩，tht）在不同的反应条件下与格利雅试剂MgCl（C 6 Cl 5）芳构化，得到中性铑（III）络合物[ Rh（C 6 Cl 5）3 ] 1和[Rh（C 6 Cl 4 –C 6 Cl 4）（C 6 Cl 5）（tht）2 ] 2以及顺磁性铑（II）化合物[Rh（C 6氯5） 2（tht） 2 ] 3.还可以通过用AgClO 4处理[P（CH 2 Ph）Ph 3 ] [RhCl（C 6 Cl 5） 3 ]来获得均纯络合物1。该配合物在固态对空气和湿气稳定，在脱氧溶液中适度稳定。已经确定了化合物1和2的晶体结构。它们显示扭曲的八面体环境。1个中的所有C 6 Cl 5基团或2个中的一个C 6 Cl 5基团都是通过ipso -C原子与邻位之一键合的螯合配体-Cl原子。配合物2另外结合了两个四氢噻吩配体和一个通过两个五氯苯基基团偶联形成的全氯-2