Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au)

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Date

2022-12-28

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journal article

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Investigación
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Authors

Solar-Encinas, José, Vásquez-Espinal, Alejandro, Leyva-Parra, Luis, Yáñez, Osvaldo, Inostroza, Diego, Valenzuela, Maria Luisa, Orellana, Walter, Tiznado, William

Publisher

MDPI AG

URI

https://repositorio.udla.cl/handle/udla/1360

DOI

https://doi.org/10.3390/molecules28010236

Keywords

boron clusters, group 11 metals, potential energy surface, DFT computations, chemical bonding, aromaticity

Citation

Molecules, 28(1), 236. https://doi.org/10.3390/molecules28010236

Abstract

Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment. This result is striking since this B12 pla...

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Creative Commons Attribution 4.0 International
Except where otherwised noted, this item's license is described as Creative Commons Attribution 4.0 International
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