Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium‐Silicon Aromatic Units. Issue 10 (19th April 2021)

• Record Type: Journal Article
• Authors: Manrique‐de‐la‐Cuba, María Fernanda; Leyva‐Parra, Luis; Inostroza, Diego; Gomez, Badhin; Vásquez‐Espinal, Alejandro; Garza, Jorge; Yañez, Osvaldo; Tiznado, William
• Is Part Of: Chemphyschem. Volume 22:Issue 10(2021)
• Page Start: 906
• Page End: 910
• Publication Date: 2021-04-19
• Subjects: ab-initio computations -- aromaticity -- cluster's assembled nanostructures -- global minima structures -- silicon-lithium aromatic clusters; Chemistry, Physical and theoretical -- Periodicals; 541.05
• DOI: 10.1002/cphc.202001051
• Languages: English
• ISSNs: 1439-4235

Abstract

Abstract: We report the global minima structures of Li8 Si8, Li10 Si9, and Li12 Si10 systems, in which silicon moieties maintain structural and chemical bonding characteristics similar to those of their building blocks: the aromatic clusters Td −Li4 Si4 and C2v −Li6 Si5 . 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. Abstract : Aromatic units : Ab‐initio computations show that aromatic clusters Td −Li4 Si4 and C2v −Li6 Si5 are suitable building blocks for assembly Li8 Si8, Li10 Si9, and Li12 Si10 nanostructures.