Authors
Alejandro Vásquez-Espinal, Ricardo Pino-Rios, Luis Alvarez-Thon, Walter A Rabanal-León, Juan J Torres-Vega, Ramiro Arratia-Perez, William Tiznado
Publication date
2015/11/5
Journal
The Journal of Physical Chemistry Letters
Volume
6
Issue
21
Pages
4326-4330
Publisher
American Chemical Society
Description
We have theoretically evaluated the behavior of the Re3(μ-Cl)3Cl6 cluster under magnetic perturbation, and it clearly shows that the magnetic response within the Re3(μ-Cl)3 plane is highly diatropic in nature. An analysis of both the magnetically induced current density (MICD) and induced magnetic field (Bind) allows us to classify this cluster as doubly σ- and also π-aromatic on the magnetic criterion. These findings contradict the classical Re–Re double bond representation and favor a chemical bonding pattern that involves delocalized bonds.
Total citations
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Scholar articles
A Vásquez-Espinal, R Pino-Rios, L Alvarez-Thon… - The Journal of Physical Chemistry Letters, 2015