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Crystal structures and spin crossover in the polymeric material [Fe(Htrz)2(trz)](BF4) including coherent-domain size reduction effects

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGROSJEAN, Arnaud
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorNÉGRIER, Philippe
hal.structure.identifierMatériaux, Rayonnements, Structure [NEEL - MRS]
dc.contributor.authorBORDET, Pierre
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorETRILLARD, Céline
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorMONDIEIG, Denise
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorPÉCHEV, Stanislav
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorLEBRAUD, Eric
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorLÉTARD, Jean-François
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGUIONNEAU, Philippe
dc.date.created2012-09-21
dc.date.issued2013
dc.identifier.issn1434-1948
dc.description.abstractEnThe high-spin and low-spin crystal structures of [Fe(Htrz)2(trz)](BF4) (Htrz = 1H-1,2,4-triazole, trz- = deprotonated triazolato ligand) were determined and refined on the basis of X-ray diffraction data obtained from a high-quality crystalline powder. Noteworthy differences to the previously reported structural hypothesis are obtained, which includes a revision of the space group to orthorhombic Pnma. Notably, the distinction between the positions of the Htrz and the trz- ligand along the chains reveals their respective roles in the formation of direct interchain interactions. The latter are also mediated by the anions. In addition, the pair-distribution-function (PDF) method was applied to investigate the potential modification of the crystal structure by a reduction of the coherent-domain size from 50 nm to 10 nm. First, the PDF investigation confirms the validity of the crystal structures presented here. Furthermore, in a first approach, it reveals that the crystal structure description remains suitable for the whole range of coherent-domain sizes investigated.
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/
dc.subject.enPowder X-ray diffraction
dc.subject.enSpin crossover
dc.subject.enPhase transitions
dc.subject.enIron
dc.subject.enPolymers
dc.title.enCrystal structures and spin crossover in the polymeric material [Fe(Htrz)2(trz)](BF4) including coherent-domain size reduction effects
dc.typeArticle de revue
dc.identifier.doi10.1002/ejic.201201121
dc.subject.halChimie/Cristallographie
dc.subject.halChimie/Chimie de coordination
dc.subject.halChimie/Polymères
dc.subject.halChimie/Matériaux
bordeaux.journalEuropean Journal of Inorganic Chemistry
bordeaux.page796-802
bordeaux.volume2013
bordeaux.issue5-6
bordeaux.peerReviewedoui
hal.identifierhal-00794417
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00794417v1
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