| Autor: |
Amlan J. Kalita, Kangkan Sarmah, Farnaz Yashmin, Ritam R. Borah, Indrani Baruah, Rinu P. Deka, Ankur K. Guha |
| Jazyk: |
angličtina |
| Rok vydání: |
2022 |
| Předmět: |
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| Zdroj: |
Scientific Reports, Vol 12, Iss 1, Pp 1-8 (2022) |
| Druh dokumentu: |
article |
| ISSN: |
2045-2322 |
| DOI: |
10.1038/s41598-022-14430-4 |
| Popis: |
Abstract Planar hypercoordinate structures are gaining immense attention due to the shift from common paradigm. Herein, our high level ab initio calculations predict that planar pentacoordinate aluminium and gallium centres in Cu5Al2+ and Cu5Ga2+ clusters are global minima in their singlet ground states. These clusters are thermodynamically and kinetically very stable. Detailed electronic structure analyses reveal the presence of σ-aromaticity which is the driving force for the stability of the planar form. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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