Structure and stability of Si6Li6: Aromaticity vs polarizability

Juan C. Santos, Maryel Contreras, Gabriel Merino

Resultado de la investigación: Article

19 Citas (Scopus)

Resumen

Detailed exploration of the Si6Li6 potential energy surface shows that the most stable form of such cluster is not planar, it is a tridimensional structure formed by a silicon tetrahedron interacting with a silicon dimer through four lithium atoms. In order to understand stability, both polarizability and aromaticity were used. Given that the most stable structure is non-planar, aromaticity evaluation is not easy. Gratifyingly, the minimum polarizability principle is satisfied.

Idioma originalEnglish
Páginas (desde-hasta)172-174
Número de páginas3
PublicaciónChemical Physics Letters
Volumen496
N.º1-3
DOI
EstadoPublished - 20 ago 2010

Huella dactilar

Silicon
Potential energy surfaces
silicon
Lithium
tetrahedrons
Dimers
lithium
potential energy
dimers
Atoms
evaluation
atoms

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

Santos, Juan C. ; Contreras, Maryel ; Merino, Gabriel. / Structure and stability of Si6Li6 : Aromaticity vs polarizability. En: Chemical Physics Letters. 2010 ; Vol. 496, N.º 1-3. pp. 172-174.
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Structure and stability of Si6Li6 : Aromaticity vs polarizability. / Santos, Juan C.; Contreras, Maryel; Merino, Gabriel.

En: Chemical Physics Letters, Vol. 496, N.º 1-3, 20.08.2010, p. 172-174.

Resultado de la investigación: Article

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