Do All-Metal Antiaromatic Clusters Exist?

As shown by detailed nucleus-independent chem. shift (NICS) analyses of the contributions of each MO, 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 arom. rather than antiarom. The paratropic (antiarom.) four-pi-electron contribution is overcome by the predominating diatropic effects of sigma aromaticity. However, true antiarom. all-metal clusters, such as Sn62- (Schiemenz, B.; Huttner, G. Angew. Chem., Int. Ed. Engl. 1993, 32, 297), do exist. [on SciFinder (R)]


Published in:
Journal of the American Chemical Society, 125, 46, 13930-13931
Year:
2003
Keywords:
Note:
CAN 139:386777
65-3
General Physical Chemistry
Department of Chemistry and Center for Computational Quantum Chemistry,University of Georgia,Athens,GA,USA.
Journal
0002-7863
written in English.
190795-69-8 (Aluminum, compd. with lithium (4:4); 332397-18-9 (Aluminum, ion (Al42-); 552323-57-6 (Aluminum, compd. with lithium (4:3), ion(1-) Role: PRP (Properties) (pi antiaromaticity and sigma aromaticity in Al42- based all-metal clusters studied by CMO-NICS analyses)
Laboratories:




 Record created 2007-10-22, last modified 2018-03-17


Rate this document:

Rate this document:
1
2
3
 
(Not yet reviewed)