Single-molecule magnet Fe9 supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions

Silvia Gómez-Coca; Eliseo Ruiz; Jens Kortus

doi:10.1039/B905950D

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Single-molecule magnet Fe₉ supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions†

Silvia Gómez-Coca,^a Eliseo Ruiz*^a and Jens Kortus^b

Author affiliations

* Corresponding authors

^a Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 647, Barcelona 08028, Spain
E-mail: eliseo.ruiz@qi.ub.es
Fax: +34 93 4907725
Tel: +34 94 4037054

^b Institut für Theoretische Physik, TU Bergakademie Freiberg, Leipziger Str. 23, 09596 Freiberg, Germany
E-mail: Jens.Kortus@physik.tu-freiberg.de

Abstract

A theoretical study using methods based on density functional theory makes it possible to study the intramolecular and intermolecular exchange interactions in Fe₉ supramolecular dimers.

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Supplementary files

Table S1 including the results considering a model with 21 J values PDF (270K)

Article information

DOI: https://doi.org/10.1039/B905950D
Article type: Communication
Submitted: 25 Mar 2009
Accepted: 29 May 2009
First published: 16 Jun 2009

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Chem. Commun., 2009, 4363-4365

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Single-molecule magnet Fe₉ supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions

S. Gómez-Coca, E. Ruiz and J. Kortus, Chem. Commun., 2009, 4363 DOI: 10.1039/B905950D

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Chemical Communications