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On the Aromaticity of Square Planar Ga42- and In42- in Gaseous NaGa4- and NaIn4- Clusters
Abstract
We investigated the electronic structure and chemical bonding of two bimetallic clusters NaGa4- and NaIn4-. Photoelectron spectra of the anions were obtained and compared with ab initio calculations. We found that the ground state of the two anions contains a square planar dianion interacting with a Na+ cation. The Ga4(2-) and In4(2-) dianions both possess two delocalized pi electrons and are considered to be aromatic, similar to that recently found in Al4(2-). Using calculations for a model compound, we showed that a recently synthesized Ga4-organometallic compound also contains an aromatic -Ga4(2-)- unit, analogous to the gaseous clusters.
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Cites
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
Krishnan, R., Binkley, J. S., Seeger, R., & Pople, J. A. (1980) · The Journal of Chemical Physics · doi:10.1063/1.438955 · Cited by 17,772
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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-citationIslas, R., Heine, T., & Merino, G. (2012) · Accounts of Chemical Research · doi:10.1021/ar200117a · Cited by 299
Chen, W., Li, Z.-R., Wu, D., Li, Y., & Sun, C.-C. (2005) · The Journal of Chemical Physics · doi:10.1063/1.2061222 · Cited by 16
σ-Aromaticity in Hexa-Group 16 Atom-Substituted Benzene Dications: A Theoretical Study
Hatanaka, M., Saito, M., Fujita, M., & Morokuma, K. (2014) · The Journal of Organic Chemistry · doi:10.1021/jo500098h · Cited by 14
Metadata
- Authors
- Kuznetsov, A. E., Boldyrev, A. I., Li, X., & Wang, L.-S.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2001-08-16
- Volume
- 123
- Issue
- 36
- Pages
- 8825-8831
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2017926595
- Cited by
- 224
- References
- 1
- FWCI
- 9.22
- Type
- journal article
- Language
- en
- Open access
- closed
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