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Metalla-phenalene complexes: synthesis, structure and aromaticity.

Yue SunYan ZhouWei BaiYang LiYilun Wang
Published in: Chemical communications (Cambridge, England) (2022)
Metallaaromatics show a diversity of aromaticity. In this work, we report the synthesis and structural characterization of the first rhena-phenalene complexes. In addition to the Hückel aromaticity and σ-aromaticity, pseudo π anti-aromaticity is observed. DFT computations show that this anti-aromaticity (paramagnetic properties) is induced by the fused aromatic naphthyl ring.
Keyphrases
  • molecular docking
  • crystal structure