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Electrically Switchable Magnetic Molecules: Inducing a Magnetic Coupling by Means of an External Electric Field in a Mixed‐Valence Polyoxovanadate Cluster
Author(s) -
CardonaSerra Salvador,
ClementeJuan Juan M.,
Coronado Eugenio,
GaitaAriño Alejandro,
Suaud Nicolas,
Svoboda Ondrej,
Bastardis Roland,
Guihéry Nathalie,
Palacios Juan J.
Publication year - 2015
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201404055
Subject(s) - delocalized electron , electron , condensed matter physics , electric field , paramagnetism , intramolecular force , antiferromagnetism , cluster (spacecraft) , hamiltonian (control theory) , magnetic field , coupling (piping) , valence electron , chemistry , physics , materials science , quantum mechanics , mathematical optimization , mathematics , computer science , programming language , organic chemistry , stereochemistry , metallurgy
Herein we evaluate the influence of an electric field on the coupling of two delocalized electrons in the mixed‐valence polyoxometalate (POM) [GeV 14 O 40 ] 8− (in short V 14 ) by using both a t‐J model Hamiltonian and DFT calculations. In absence of an electric field the compound is paramagnetic, because the two electrons are localized on different parts of the POM. When an electric field is applied, an abrupt change of the magnetic coupling between the two delocalized electrons can be induced. Indeed, the field forces the two electrons to localize on nearest‐neighbors metal centers, leading to a very strong antiferromagnetic coupling. Both theoretical approaches have led to similar results, emphasizing that the sharp spin transition induced by the electric field in the V 14 system is a robust phenomenon, intramolecular in nature, and barely influenced by small changes on the external structure.