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Do All-Metal Antiaromatic Clusters Exist?

2003; American Chemical Society; Volume: 125; Issue: 46 Linguagem: Inglês

10.1021/ja0361392

ISSN

1943-2984

Autores

Zhongfang Chen, Clémence Corminbœuf, Thomas Heine, Jon Bohmann, Paul von Ragué Schleyer,

Tópico(s)

Boron and Carbon Nanomaterials Research

Resumo

As shown by detailed nucleus-independent chemical shift (NICS) analyses of the contributions of each molecular orbital, the very recently reported gas-phase all-metal Al4Li3- anion and its relatives (Kuznetsov, A.E.; Birch, K.A.; Boldyrev, A.I.; Li, X.; Zhai, A.I.; Wang, L.S. Science 2003, 300, 622) are aromatic rather than antiaromatic. The paratropic (antiaromatic) four-pi-electron contribution is overcome by the predominating diatropic effects of sigma aromaticity. However, true antiaromatic all-metal clusters, such as Sn62- (Schiemenz, B.; Huttner, G. Angew. Chem., Int. Ed. Engl. 1993, 32, 297), do exist.

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