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 journalArticlepeer-review


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.

Original languageEnglish
Publication statusAccepted/In press - 2021


  • 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


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