| 321750-59-8

• 分子结构分类: 有机化合物
• CAS: 321750-59-8
• 化学式: C₃₃H₂₇Cl₁₅N₃Rh
• 分子量: 1100.3
• InChiKey: LNYKOTWKUXWTJH-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：
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• 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：

  1,2,3,4,5-pentachlorobenzene-6-ide;rhodium(3+) 、 异氰酸叔丁酯 以 二氯甲烷 为溶剂， 以78%的产率得到
  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