(Li6Si5)2–5: The Smallest Cluster-Assembled Materials Based on Aromatic Si5 6− Rings

Osvaldo Yañez, Victor Garcia, Jorge Garza, Walter Orellana, Alejandro Vásquez-Espinal, William Tiznado

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

17 Citas (Scopus)


Extensive explorations of their potential energy surfaces, combined with high-level quantum chemical computations, strikingly show that the lowest energy structures of the (Li6Si5)2–5 systems consist of 2–5 Si5 6− aromatic units, surrounded by Li+ counterions, respectively. These viable gas-phase compounds are the pioneering reported cases of oligomers made by planar aromatic silicon rings. Based on the key evidence that these oligomers are energetically favored, and that their silicon rings aromaticity is thoroughly preserved, the Li6Si5 cluster is proposed as a potential assembly unit to build silicon-lithium nanostructures, thus opening new paths to design Zintl compounds at the nanoscale level.

Idioma originalInglés
Páginas (desde-hasta)2467-2471
Número de páginas5
PublicaciónChemistry - A European Journal
EstadoEn prensa - 1 ene. 2019

Áreas temáticas de ASJC Scopus

  • Catálisis
  • Química orgánica


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