All-Metal Antiaromatic Molecule: Rectangular Al44- in the Li3Al4- Anion

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Science  25 Apr 2003:
Vol. 300, Issue 5619, pp. 622-625
DOI: 10.1126/science.1082477

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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.

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