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Evidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV)

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierInstitute of Physical Chemistry "I. G. Murgulescu"
dc.contributor.authorVISINESCU, Diana
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDESPLANCHES, Cédric
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorIMAZ, Inhar
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorBAHERS, Vincent
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorPRADHAN, Rabindranath
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorVILLAMENA, Frederick A.
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGUIONNEAU, Philippe
hal.structure.identifierLaboratoire de chimie de coordination [LCC]
dc.contributor.authorSUTTER, Jean-Pascal
dc.date.issued2006
dc.identifier.issn0002-7863
dc.description.abstractEnTwo main questions are addressed in this study: (i) What increase of exchange interaction can be expected when replacing a paramagnetic metal ion with a heavier congener located farther down the periodic table (i.e., 3d-4d-5d), and (ii) for a molecular unit with higher coordination numbers, eight in the present case, how is the magnetic information transferred from the metal ion to its ligand set? Qualitative and quantitative investigations on a series of trimetallic cyano-bridged {MoV(CN)8-NiII} and {WV(CN)8-NiII} compounds revealed ferromagnetic interactions but with a strength modulated by the spin organization and their nature. DFT calculations have been used to examine the mechanism and strengths of the exchange coupling, as well as the influence of the local symmetry of the cyanometalate unit on the spin density distribution. Both the experimental and the calculated behaviors underline a noticeable difference between the Mo and the W derivatives (JMoNi = 26.9 cm-1 and JWNi = 37.3 cm-1) that is correlated to the spin density transferred from the metal center to its ligand set. It is also shown that the shape of the {M(CN)8} polyhedron may lead to nonequivalent CN sites and, consequently, to different strengths of the exchange interaction as a result of the position of the bridging ligands.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.subject.enHigh- spin molecules
dc.subject.enMagnetic properties
dc.subject.enCrystal structure
dc.subject.enGround state
dc.subject.enOrdering temperature
dc.subject.enComplexes
dc.subject.enCyanide
dc.subject.enCluster
dc.subject.enAnisotropy
dc.subject.enDensity
dc.title.enEvidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV)
dc.typeArticle de revue
dc.identifier.doi10.1021/ja061911x
dc.subject.halChimie/Matériaux
bordeaux.journalJournal of the American Chemical Society
bordeaux.page10202-10212
bordeaux.volume128
bordeaux.issue31
bordeaux.peerReviewedoui
hal.identifierhal-00090690
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00090690v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20the%20American%20Chemical%20Society&rft.date=2006&rft.volume=128&rft.issue=31&rft.spage=10202-10212&rft.epage=10202-10212&rft.eissn=0002-7863&rft.issn=0002-7863&rft.au=VISINESCU,%20Diana&DESPLANCHES,%20C%C3%A9dric&IMAZ,%20Inhar&BAHERS,%20Vincent&PRADHAN,%20Rabindranath&rft.genre=article


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