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hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorLAKHLOUFI, Sabine
hal.structure.identifierInstitut Laue-Langevin [ILL]
dc.contributor.authorLEMÉE-CAILLEAU, Marie-Hélène
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCHASTANET, Guillaume
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorROSA, Patrick
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDARO, Nathalie
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGUIONNEAU, Philippe
dc.date.issued2016
dc.identifier.issn1463-9076
dc.description.abstractEnThe thermally induced Spin-CrossOver (SCO) undergone by the mononuclear iron(ii) complex [Fe(PM-AzA)2(NCS)2] (PM = N-2'-pyridylmethylene, AzA = 4-(phenylazo)aniline) is fully pictured by a quasi-continuous structural determination all along the spin-state modification within the sample. This large scale multi-temperature Single-Crystal X-Ray Diffraction (SCXRD) investigation leads to making structural movies. The latter reveal or confirm some features of the SCO that are subsequently validated by the same systematic investigation performed on a zinc isostructural analogue complex. Notably, the continuous views of the temperature dependencies of the unit-cell parameters, the dilatation tensors, the metal coordination sphere geometry and the intermolecular distances confirm a few of the structure-property relationships already known for SCO materials. In parallel, the examination of the temperature dependencies of the atomic coordinates and the atomic displacement parameters reveals unexpected behaviours in this gradual SCO material such as antagonistic atomic movements due to the single SCO and the pure thermal effects.
dc.description.sponsorshipEtude femtoseconde rayons X et optique de la dynamique ultrarapide de photocommutation de matériaux moléculaires magnétiques
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.title.enStructural movies of the gradual spin-crossover in a molecular complex at various physical scales
dc.typeArticle de revue
dc.identifier.doi10.1039/c6cp04987g
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Chimie de coordination
bordeaux.journalPhysical Chemistry Chemical Physics
bordeaux.page28307-28315
bordeaux.volume18
bordeaux.issue40
bordeaux.peerReviewedoui
hal.identifierhal-01388680
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01388680v1
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