Planar elongated B12 structure in M3B12 clusters (M = Cu-Au)

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384.pdf (2.69 MB)

Date

2023

Document type

Artículo

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Investigación
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Authors

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

Faculty

Facultad de Ingeniería y Negocios

Publisher

MDPI

URI

http://repositorio.udla.cl/xmlui/handle/udla/1360, https://www.mdpi.com/journal/molecules

DOI

10.3390/molecules28010236

Keywords

Aromaticity, Boron clusters, DFT computations, Group 11 metals

Citation

Molecules, 28(1), 12 p.

Extent

12 páginas
2.686Mb

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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