Valence bond/broken symmetry analysis of the exchange coupling constant in copper(II) dimers. Ferromagnetic contribution exalted through combined ligand topology and (singlet) covalent-ionic mixing

Journal of Physical Chemistry A

Volumn 114, Issue 20, 2010, Pages 6149-6156

  Onofrio, Nicolas ^a   Mouesca, Jean Marie ^a  

^a CEA GRENOBLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETICS; BRIDGING LIGANDS; BROKEN SYMMETRY; COPPER DIMERS; DELOCALIZATIONS; EFFECTIVE PARAMETERS; EXCHANGE COUPLING CONSTANTS; FERROMAGNETIC CONTRIBUTION; FERROMAGNETIC COUPLING; HEURISTIC MODEL; MAGNETIC ORBITALS; ORTHOGONALITY CONSTRAINTS; SINGLET STATE; SYMMETRY ANALYSIS; VALENCE BONDS;

ANTIFERROMAGNETISM; COPPER; DIMERS; EXCHANGE COUPLING; FERROMAGNETIC MATERIALS; LIGANDS; TOPOLOGY;

FERROMAGNETISM;

EID: 77952729485     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp912114d     Document Type: Article

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