[(cyclooctene)2Rh(η5-azulene)]PF6 | 910466-07-8

• 英文名称: [(cyclooctene)2Rh(η5-azulene)]PF6
• 英文别名: [(COE)2Rh(η5-azulene)]PF6
• CAS: 910466-07-8
• 化学式: C₂₆H₃₆Rh*F₆P
• 分子量: 596.442
• InChiKey: ZDDJFZIDJJISTJ-MSURVMPUSA-N

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：

  奥苷菊环 、 cis-bis(acetone-κO)bis(η2-cyclooctene)rhodium(I) hexafluorophosphate 以 not given 为溶剂， 生成 [(cyclooctene)2Rh(η5-azulene)]PF6
  参考文献：
  名称：

  d⁸ Rhodium and Iridium Complexes of Corannulene

  摘要：

  [(COE)2M]+ fragments (M = Rh, Ir; COE = cyclooctene) react with corannulene to give eta6-bound complexes [(COE)2Rh(eta6-C20H10)]PF6 and [(COE)2Ir(eta6-C20H10)]PF6. Both compounds were characterized by X-ray diffraction studies, and binding in the solid state is compared with that of their aromatic analogues [(COE)2M(eta6-arene)]PF6 (aryl = benzene and phenanthrene). Solution NMR studies show that the [(COE)2Rh]+ fragment walks over the curved aromatic surface of corannulene, whereas the Ir analogue is not fluxional. Experimental as well as computational studies suggest that inter-ring movement of the Rh complex follows a hub migration mechanism. Initial reactivity studies indicate that the [(COE)2M]+ fragments can undergo chemical transformations, such as transfer dehydrogenation and substitution reactions, while still bound to corannulene.

  DOI：

  10.1021/ja062110x