Do all-metal antiaromatic clusters exist?

被引：134

作者：

Chen, ZF

Corminboeuf, C

Heine, T

Bohmann, J

Schleyer, PV ^{[1
]}

机构：

[1] Univ Georgia, Dept Chem, Athens, GA 30602 USA

[2] Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA

[3] Univ Erlangen Nurnberg, Inst Organ Chem, D-91054 Erlangen, Germany

[4] Univ Geneva, Dept Chem Phys, CH-1211 Geneva 4, Switzerland

[5] Tech Univ Dresden, Inst Chem Phys, D-01062 Dresden, Germany

[6] Texas Lutheran Univ, Dept Chem, Seguin, TX 78155 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 125卷 / 46期

关键词：

D O I：

10.1021/ja0361392

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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. Copyright © 2003 American Chemical Society.

引用

页码：13930 / 13931

页数：2

共 24 条

[1] Natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations [J].