σ-Aromaticity in planar pentacoordinate aluminium and gallium clusters

σ-Aromaticity in planar pentacoordinate aluminium and gallium clusters

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 st...

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Bibliographic Details
Main Authors: Amlan J. Kalita, Kangkan Sarmah, Farnaz Yashmin, Ritam R. Borah, Indrani Baruah, Rinu P. Deka, Ankur K. Guha
Format: Article
Language:English
Published: Nature Portfolio 2022-06-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-14430-4

Internet

https://doi.org/10.1038/s41598-022-14430-4

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