Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium-Silicon Aromatic Units

María Fernanda Manrique-de-la-Cuba; Luis Leyva-Parra; Diego Inostroza; Badhin Gomez; Alejandro Vásquez-Espinal; Jorge Garza; Osvaldo Yañez; William Tiznado

doi:10.1002/cphc.202001051

Li₈Si₈, Li₁₀Si₉, and Li₁₂Si₁₀: Assemblies of Lithium-Silicon Aromatic Units

María Fernanda Manrique-de-la-Cuba, Luis Leyva-Parra, Diego Inostroza, Badhin Gomez, Alejandro Vásquez-Espinal, Jorge Garza, Osvaldo Yañez, William Tiznado

Escuela Profesional de Farmacia y Bioquímica

Producción científica: Contribución a una revista › Artículo › revisión exhaustiva

4 Citas (Scopus)

Resumen

We report the global minima structures of Li₈Si₈, Li₁₀Si₉, and Li₁₂Si₁₀ systems, in which silicon moieties maintain structural and chemical bonding characteristics similar to those of their building blocks: the aromatic clusters T_d−Li₄Si₄ and C_2v−Li₆Si₅. Electron counting rules, chemical bonding analysis, and magnetic response properties verify the silicon unit‘s aromaticity persistence. This study demonstrates the feasibility of assembling silicon-based nanostructures from aromatics clusters as building blocks.

Idioma original	Inglés
Páginas (desde-hasta)	906-910
Número de páginas	5
Publicación	ChemPhysChem
Volumen	22
N.º	10
DOI	https://doi.org/10.1002/cphc.202001051
Estado	Publicada - 17 may. 2021

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10.1002/cphc.202001051

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title = "Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium-Silicon Aromatic Units",

abstract = "We report the global minima structures of Li8Si8, Li10Si9, and Li12Si10 systems, in which silicon moieties maintain structural and chemical bonding characteristics similar to those of their building blocks: the aromatic clusters Td−Li4Si4 and C2v−Li6Si5. Electron counting rules, chemical bonding analysis, and magnetic response properties verify the silicon unit{\textquoteleft}s aromaticity persistence. This study demonstrates the feasibility of assembling silicon-based nanostructures from aromatics clusters as building blocks.",

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author = "Manrique-de-la-Cuba, {Mar{\'i}a Fernanda} and Luis Leyva-Parra and Diego Inostroza and Badhin Gomez and Alejandro V{\'a}squez-Espinal and Jorge Garza and Osvaldo Ya{\~n}ez and William Tiznado",

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AU - Manrique-de-la-Cuba, María Fernanda

AU - Leyva-Parra, Luis

AU - Inostroza, Diego

AU - Gomez, Badhin

AU - Vásquez-Espinal, Alejandro

AU - Garza, Jorge

AU - Yañez, Osvaldo

AU - Tiznado, William

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AB - We report the global minima structures of Li8Si8, Li10Si9, and Li12Si10 systems, in which silicon moieties maintain structural and chemical bonding characteristics similar to those of their building blocks: the aromatic clusters Td−Li4Si4 and C2v−Li6Si5. Electron counting rules, chemical bonding analysis, and magnetic response properties verify the silicon unit‘s aromaticity persistence. This study demonstrates the feasibility of assembling silicon-based nanostructures from aromatics clusters as building blocks.

KW - ab-initio computations

KW - aromaticity

KW - cluster's assembled nanostructures

KW - global minima structures

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