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

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)3312-3319
Number of pages8
JournalEuropean Journal of Inorganic Chemistry
Volume2018
Issue number28
DOIs
Publication statusPublished - 31 Jul 2018

Keywords

  • Aromaticity
  • Induced magnetic field
  • Magnetic properties
  • Metal clusters
  • Ring current density

ASJC Scopus subject areas

  • Inorganic Chemistry

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