title: Do all-metal antiaromatic clusters exist?
abstract: 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.
authors: Department of Chemistry and Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, USA.
authors: Zhongfang
authors: Z
authors: Chen
authors: Clémence
authors: C
authors: Corminboeuf
authors: Thomas
authors: T
authors: Heine
authors: Jon
authors: J
authors: Bohmann
authors: Paul von Ragué
authors: Pv
authors: Schleyer