Afficher la notice abrégée

Spin crossover complexes [Fe(NH2trz)3](X)2*nH2O investigated by means of polarized Raman scattering and DFT calculations.

hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
hal.structure.identifierLaboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
dc.contributor.authorTOBON, Yeny A
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorKABALAN, Lara
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorBONHOMMEAU, Sébastien
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.authorGROSJEAN, Arnaud
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGUIONNEAU, Philippe
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorLÉTARD, Jean-François
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorGUILLAUME, François
dc.date.issued2013
dc.identifier.issn1463-9076
dc.description.abstractEnVibrational spectra of the spin crossover (SCO) polymers [Fe(NH2trz)3](X)2*nH2O where NH2trz = 4-NH2-1,2,4-triazole and X = Cl, Br, BF4, and NO3 have been analyzed. Our results show that the anions and water molecules have no significant influence on the vibrational properties of the Fe(NH2-trz)3 polymer chains. A detailed study of the nitrate derivative, based on the DFT analysis of the polarized spectra of single crystals, has been undertaken to propose the normal mode assignment of the Raman peaks in the low spin state of the compound. Changes in the Raman spectra in the high spin state could therefore be analyzed and interpreted by several Raman bands identified as molecular probes of the SCO phenomenon. Various factors (laser power, humidity, pressure) that influence the transition temperatures and the hysteresis loops have been identified and adjusted for obtaining reliable measurements. We demonstrate in particular that all the techniques used to probe the phase transition process give comparable results providing that the sample environment is well controlled.
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.subject.enVibrational spectra
dc.subject.enSpin crossover
dc.subject.enPolymers
dc.subject.enDFT
dc.title.enSpin crossover complexes [Fe(NH2trz)3](X)2*nH2O investigated by means of polarized Raman scattering and DFT calculations.
dc.typeArticle de revue
dc.identifier.doi10.1039/c3cp52505h
dc.subject.halChimie/Matériaux
bordeaux.journalPhysical Chemistry Chemical Physics
bordeaux.page18128-18137
bordeaux.volume15
bordeaux.issue41
bordeaux.peerReviewedoui
hal.identifierhal-00872013
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00872013v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Physical%20Chemistry%20Chemical%20Physics&rft.date=2013&rft.volume=15&rft.issue=41&rft.spage=18128-18137&rft.epage=18128-18137&rft.eissn=1463-9076&rft.issn=1463-9076&rft.au=TOBON,%20Yeny%20A&KABALAN,%20Lara&BONHOMMEAU,%20S%C3%A9bastien&DARO,%20Nathalie&GROSJEAN,%20Arnaud&rft.genre=article


Fichier(s) constituant ce document

FichiersTailleFormatVue

Il n'y a pas de fichiers associés à ce document.

Ce document figure dans la(les) collection(s) suivante(s)

Afficher la notice abrégée