[((η5-pentamethylcyclopentadienyl)IrCl)2(μ-1,8-naphthyridine)(μ-H)]PF6 | 891827-53-5

• 英文名称: [((η5-pentamethylcyclopentadienyl)IrCl)2(μ-1,8-naphthyridine)(μ-H)]PF6
• 英文别名: [((η5-Cp*IrCl)2(μ-1,8-naphthyridine)(μ-H)]PF6
• CAS: 891827-53-5
• 化学式: C₂₈H₃₇Cl₂Ir₂N₂*F₆P
• 分子量: 1001.93
• InChiKey: PESONOUMELDQMC-UHFFFAOYSA-L

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：

  [(η5-pentamethylcyclopentadienyl)IrCl(1,8-naphthyridine)]PF6 、 sodium tetrahydroborate 以 甲醇 、 二氯甲烷 为溶剂， 以46%的产率得到[((η5-pentamethylcyclopentadienyl)IrCl)2(μ-1,8-naphthyridine)(μ-H)]PF6
  参考文献：
  名称：

  Monodentate, didentate chelating, and bridging 1,8-naphthyridine complexes of pentamethylcyclopentadienyliridium(III): Syntheses and structures in the solid states and in solution

  摘要：

  A series of new iridium(III) complexes containing pentamethylcyclopentadienyl (Cp* = eta(5)-C5Me5) and 1,8-naphthyridine (napy) have been prepared. X-ray crystallography revealed that napy acted as a monodentate, a didentate chelating, and a bridging ligand in complexes of [Cp*IrCl2(napy)] (1), [Cp*IrCl(napy)]PF6 (2), and [(Cp*IrC])(2)(H)(napy)]PF6 (4), respectively. The crystal structure of [Cp*Ir(napy)(2)]-(PF6)(2) (3) has also been determined; the dicationic complex bore both monodentate and chelating napy ligands. Dinuclear Cp*Ir-III complex bridged by napy was only isolable if two Ir-III centers were supported by a hydride (H-) bridge. In complexes 2 and 3, the four-membered chelate rings formed by napy exhibited a large steric strain; in the rings the N-Ir-N bond angles were only 60.5(2)-61.0(4)degrees and the Ir-N-C angles were 94.7(8)-96.7(8)degrees. The bridging coordination of napy in complex 4 also afforded a large strain, i.e., the Ir-III centers were displaced by 0.84(3) angstrom from the napy plane, due to the steric interaction between two Cp*IrCl moieties. The monodentate napy complex I in CDCl3 or CD2Cl2 at ambient temperature showed a rapid coordination-site exchange reaction, which gave two N sites of napy equivalent; at temperatures below -40 degrees C, the H-1 NMR spectra corresponded to the molecular structure of [Cp*IrCl2(napy-KN)]. The analogous diazido complex of [Cp*Ir(N-3)(2)(napy)] (5) has also been prepared, and the crystal structure has been determined. In contrast to the dichloro complex 1, the diazido complex 5 exhibited a dissociation equilibrium of coordinated napy in solution. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.02.033