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Issue 26, 2011
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Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism

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Abstract

The physical factors governing the magnetic coupling between two magnetic sites are analyzed and quantified as functions of the length of the bridging conjugated ligand. Using wave-function-theory based ab initio calculations, it has been possible to separate and calculate the various contributions to the magnetic coupling, i.e. the direct exchange, the spin polarization and the kinetic exchange. It is shown in model systems that while the Anderson mechanism brings the leading contribution for short-length ligands, the spin polarization dominates the through-long-ligand couplings. Since the spin polarization decreases more slowly than the kinetic exchange, highly spin polarizable bridging ligands would generate a good magneto-communication between interacting magnetic units.

Graphical abstract: Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism

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Publication details

The article was received on 20 Jan 2011, accepted on 12 May 2011 and first published on 06 Jun 2011


Article type: Paper
DOI: 10.1039/C1CP20179D
Phys. Chem. Chem. Phys., 2011,13, 12314-12320

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    Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism

    T. Terencio, R. Bastardis, N. Suaud, D. Maynau, J. Bonvoisin, J. P. Malrieu, C. J. Calzado and N. Guihéry, Phys. Chem. Chem. Phys., 2011, 13, 12314
    DOI: 10.1039/C1CP20179D

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