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

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

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 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.

Original language	English
Pages (from-to)	906-910
Number of pages	5
Journal	ChemPhysChem
Volume	22
Issue number	10
DOIs	https://doi.org/10.1002/cphc.202001051
Publication status	Accepted/In press - 2021

Keywords

ab-initio computations
aromaticity
cluster's assembled nanostructures
global minima structures
silicon-lithium aromatic clusters

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Physical and Theoretical Chemistry

Access to Document

10.1002/cphc.202001051

Cite this

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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",

note = "Publisher Copyright: {\textcopyright} 2021 Wiley-VCH GmbH",

year = "2021",

doi = "10.1002/cphc.202001051",

language = "English",

volume = "22",

pages = "906--910",

journal = "ChemPhysChem",

issn = "1439-4235",

publisher = "Wiley-VCH Verlag",

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TY - JOUR

T1 - Li8Si8, Li10Si9, and Li12Si10

T2 - Assemblies of Lithium-Silicon Aromatic Units

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

PY - 2021

Y1 - 2021

N2 - 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.

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

KW - silicon-lithium aromatic clusters

UR - https://www.scopus.com/pages/publications/85104824359

U2 - 10.1002/cphc.202001051

DO - 10.1002/cphc.202001051

M3 - Article

AN - SCOPUS:85104824359

SN - 1439-4235

VL - 22

SP - 906

EP - 910

JO - ChemPhysChem

JF - ChemPhysChem

IS - 10

ER -