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All-Metal Antiaromatic Molecule: Rectangular Al 4 4- in the Li 3 Al 4 - Anion
Abstract
We report the experimental and theoretical characterization of antiaromaticity in an all-metal system, Li 3 Al 4 – , which we produced by laser vaporization and studied with the use of photoelectron spectroscopy and ab initio calculations. The most stable structure of Li 3 Al 4 – 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 π electrons, consistent with the 4 n Hückel rule for antiaromaticity.
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Citations
Cited by
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chen, Z., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2005) · Chemical Reviews · doi:10.1021/cr030088+ · Cited by 3,847
All-Metal Aromaticity and Antiaromaticity
Boldyrev, A. I., & Wang, L.-S. (2005) · Chemical Reviews · doi:10.1021/cr030091t · Cited by 608
Self-citationCalculations of magnetically induced current densities: theory and applications
Sundholm, D., Fliegl, H., & Berger, R. J. F. (2016) · WIREs Computational Molecular Science · doi:10.1002/wcms.1270 · Cited by 373
Islas, R., Heine, T., & Merino, G. (2012) · Accounts of Chemical Research · doi:10.1021/ar200117a · Cited by 299
Mo, Y., & Schleyer, P. V. R. (2006) · Chemistry – A European Journal · doi:10.1002/chem.200500376 · Cited by 158
Metadata
- Authors
- Kuznetsov, A. E., Birch, K. A., Boldyrev, A. I., Li, X., Zhai, H.-J., & Wang, L.-S.
- Venue
- Science
- Published
- 2003-04-25
- Volume
- 300
- Issue
- 5619
- Pages
- 622-625
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2091255329
- Cited by
- 234
- References
- 0
- FWCI
- 11.74
- Type
- journal article
- Language
- en
- Open access
- closed
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- Kuznetsov, A. E., Birch, K. A., Boldyrev, A. I., Li, X., Zhai, H.-J., & Wang, L.-S. (2003). All-Metal Antiaromatic Molecule: Rectangular Al 4 4- in the Li 3 Al 4 - Anion. Science. https://doi.org/10.1126/science.1082477
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