Aromaticity of [M3(µ-X)3X6]0/2– (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field

Walter A. Rabanal-León, Alejandro Vásquez-Espinal, Osvaldo Yañez, Ricardo Pino-Rios, Ramiro Arratia-Pérez, Luis Alvarez-Thon, Juan J. Torres-Vega, William Tiznado

Resultado de la investigación: Contribución a una revistaArtículorevisión exhaustiva

3 Citas (Scopus)

Resumen

We present new evidence that supports the aromatic character of the clusters of formula: [M3(µ-X)3X6]0/2– (M = Re and Tc, X = Cl, Br, I). Our computations clearly show that these clusters present a special response to an applied external magnetic field, which is characteristic of aromatic systems. Both analyzed response properties, the magnetically induced current density and the induced magnetic field, agree that the magnetic perturbation induces two concentric diatropic ring currents: the inner one inside the M3 core and the outer one around the M3(µ-X)3 triangle. The flow strength of these two ring currents is significant, confirming the high diatropicity of these clusters. In the dianionic species, aromaticity is increased, mainly by an increment of the diatropicity of the inner ring current. These findings support a chemical bonding pattern with delocalized M–M bonds in these species.

Idioma originalInglés
Páginas (desde-hasta)3312-3319
Número de páginas8
PublicaciónEuropean Journal of Inorganic Chemistry
Volumen2018
N.º28
DOI
EstadoPublicada - 31 jul 2018

Áreas temáticas de ASJC Scopus

  • Química inorgánica

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