The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
σ-Aromaticity and σ-Antiaromaticity in Alkali Metal and Alkaline Earth Metal Small Clusters
Abstract
We extended the aromaticity concept to small σ-aromatic alkali metal and alkaline earth metal clusters. We performed ab initio calculations (B3LYP/6-311+G* and CCSD(T)/6-311+G*) on a selected group of triatomic and tetraatomic metal clusters. We have shown that the introduction of aromaticity and antiaromaticity in Li 3 + and Li 3 - ions, respectively, can be used to explain their relative stability and their structure. For the tetratomic 6σ-electron Li 2 Mg 2 species we predicted that the cyclic σ-aromatic structures of Li 2 Mg 2 are more stable than the classical linear Li−Mg−Mg−Li structure, thus showing the importance of the aromaticity in metal clusters. We believe that the further advancing of the aromaticity concept into metal clusters will be a useful tool in understanding chemical bonding in these species.
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Cites
Double aromaticity: aromaticity in orthogonal planes. The 3,5-dehydrophenyl cation.
Chandrasekhar, J., Jemmis, E. D., & von Ragué Schleyer, P. (1979) · Tetrahedron Letters · doi:10.1016/s0040-4039(01)95503-0 · Cited by 154
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-citationChen, 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
Introducing “carborazine” as a novel heterocyclic aromatic species
Srivastava, A. K., & Misra, N. (2015) · New Journal of Chemistry · doi:10.1039/c4nj02089h · Cited by 13
Metadata
- Authors
- Alexandrova, A. N., & Boldyrev, A. I.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2003-01-01
- Volume
- 107
- Issue
- 4
- Pages
- 554-560
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2036322048
- Cited by
- 206
- References
- 1
- FWCI
- 7.51
- Type
- journal article
- Language
- en
- Open access
- closed
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