Authors : D. K. Jha; M. Pathak

Volume/Issue : Volume 11 - 2026, Issue 10 - October

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Google Scholar : https://tinyurl.com/56jhkap8

DOI : https://doi.org/10.38124/ijisrt/26Oct044

Note : A published paper may take 4-5 working days from the publication date to appear in PlumX Metrics, Semantic Scholar, and ResearchGate.

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Abstract : Fixation and coordination of molecular dinitrogen (N₂) by main-group clusters offer fundamental insight into nonclassical multi-centre bonding and light-metal activation pathways. Here we report a combined density-functional and ab initio study of the cyclic cluster Be₃(N₂)₃. Geometry optimization and frequency analysis establish a stable, closed-shell Cₛsymmetric trimer containing an isosceles triangular Be₃ metal core coordinated end-on by three terminal N₂ ligands.

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