We report the experimental and theoretical characterization of antiaromaticity in an all-metal system, Li3Al4-, which we produced by laser vaporization and studied with the use of photoelectron spectroscopy and ab initio calculations. The most stable structure of Li3Al4- found theoretically contained a rectangular Al-4(4-) tetraanion stabilized by the three Li+ ions in a capped octahedral arrangement. Molecular orbital analyses reveal that the rectangular Al-4(4-) tetraanion has four pi electrons, consistent with the 4n Huckel rule for antiaromaticity.
Revised: January 12, 2012 |
Published: April 25, 2003
Citation
Kuznetsov A.E., K.A. Birch, A.I. Boldyrev, X. Li, H.J. Zhai, and L. Wang. 2003.All-Metal Antiaromatic Molecule: Retangular A1-4(4) in the Li3A14- Anion.Science 300, no. 5619:622-625.PNNL-SA-39710.