A. Kuznetsov, K. A. Birch, A. Boldyrev
Apr 25, 2003
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Abstract
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 Al44– tetraanion stabilized by the three Li+ ions in a capped octahedral arrangement. Molecular orbital analyses reveal that the rectangular Al44– tetraanion has four π electrons, consistent with the 4n Hückel rule for antiaromaticity.