Academic Journal
σ-Aromaticity in planar pentacoordinate aluminium and gallium clusters
| العنوان: | σ-Aromaticity in planar pentacoordinate aluminium and gallium clusters |
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| المؤلفون: | Amlan J. Kalita, Kangkan Sarmah, Farnaz Yashmin, Ritam R. Borah, Indrani Baruah, Rinu P. Deka, Ankur K. Guha |
| المصدر: | Scientific Reports, Vol 12, Iss 1, Pp 1-8 (2022) |
| بيانات النشر: | Nature Portfolio, 2022. |
| سنة النشر: | 2022 |
| المجموعة: | LCC:Medicine LCC:Science |
| مصطلحات موضوعية: | Medicine, Science |
| الوصف: | 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. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2045-2322 |
| Relation: | https://doaj.org/toc/2045-2322 |
| DOI: | 10.1038/s41598-022-14430-4 |
| URL الوصول: | https://doaj.org/article/257019858b6043ad96ec79032b1105ad |
| رقم الانضمام: | edsdoj.257019858b6043ad96ec79032b1105ad |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 20452322 |
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| DOI: | 10.1038/s41598-022-14430-4 |