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On the origin of ferromagnetism in oximato-based [Mn3O]7+ triangles |
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| Authors: | Cano Joan Cauchy Thomas Ruiz Eliseo Milios Constantinos J Stoumpos Constantinos C Stamatatos Theocharis C Perlepes Spyros P Christou George Brechin Euan K |
| Affiliation: | Departament de Química Inorgànica and Institut de Recerca en Química Teórica i Computacional, Universitat de Barcelona, Diagonal 647, 08028, Barcelona, Spain. joan.cano@qi.ub.es |
| Abstract: | DFT calculations reveal the unusual ferromagnetic exchange observed in an oxo-centered Mn(III) triangle may originate from a combination of the 'non-planarity' of the bridging oxime ligands and the non-parallel alignment of the Jahn-Teller axes. |
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