TY - JOUR
T1 - Do All-Metal Antiaromatic Clusters Exist?
AU - Chen, Zhongfang
AU - Corminboeuf, Clémence
AU - Heine, Thomas
AU - Bohmann, Jon
AU - Von Ragué Schleyer, Paul
N1 - Copyright:
Copyright 2010 Elsevier B.V., All rights reserved.
PY - 2003/11/19
Y1 - 2003/11/19
N2 - 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-π-electron contribution is overcome by the predominating diatropic effects of σ aromaticity. However, true antiaromatic all-metal clusters, such as Sn62- (Schiemenz, B.; Huttner, G. Angew. Chem., Int. Ed. Engl. 1993, 32, 297), do exist.
AB - 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-π-electron contribution is overcome by the predominating diatropic effects of σ 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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U2 - 10.1021/ja0361392
DO - 10.1021/ja0361392
M3 - Article
C2 - 14611208
AN - SCOPUS:0242582922
VL - 125
SP - 13930
EP - 13931
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
IS - 46
ER -