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Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]

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Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]

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dc.contributor.author Arcís-Castillo, Zulema es_ES
dc.contributor.author Piñeiro-López, Lucia es_ES
dc.contributor.author Muñoz Roca, María del Carmen es_ES
dc.contributor.author Ballesteros, Rafael es_ES
dc.contributor.author Abarca Gonzalez, Belen es_ES
dc.contributor.author Real Cabezos, Jose Antonio es_ES
dc.date.accessioned 2015-06-16T10:55:06Z
dc.date.issued 2013-02-18
dc.identifier.issn 1466-8033
dc.identifier.uri http://hdl.handle.net/10251/51771
dc.description.abstract The compound [Fe(tzpy)2(NCSe)2] (tzpy = 3-(2-pyridyl)-[1,2,3]triazolo[1,5-a]pyridine)) has been synthesized and its crystal structure, magnetic behavior and calorimetric properties investigated. Samples constituted of single crystals of [Fe(tzpy)2(NCSe) 2] display a relatively cooperative spin-state change centered at T1/2 ¿ 251.7 K with a hysteresis loop 3.5 K wide. The average enthalpy (¿H) and entropy (¿S) changes upon the spin crossover behavior (SCO) obtained from DSC measurements are 11.1 ± 0.4 kJ mol -1 and 44.5 ± 3 J K-1 mol-1, respectively. The magnetic and calorimetric data have been satisfactorily simulated using the mean-field regular solution model (Slichter-Drickamer) and the domain (Sorai-Seki) models, respectively. The crystal structure of [Fe(tzpy)2(NCSe)2] has been investigated at 120 K and 325 K where the compound is in the low-spin state and essentially in the high-spin state, respectively. The intramolecular and intermolecular structural changes associated with the spin conversion are discussed and correlated with the magnetic and calorimetric data. © 2013 This journal isThe Royal Society of Chemistry. es_ES
dc.description.sponsorship This work was supported by the Spanish Ministerio de Ciencia e Innovacion (MICINN) (presently Ministerio de Economia y Competitividad) and FEDER funds (CTQ2010-18414), Consolider, Supramed CSD 2010-00065 the Generalitat Valenciana through PROMETEO/2012/049, Prometeo 2011/008 and ACOMP2012/233 projects. Z. Arcis-Castillo thanks the Spanish Ministerio de Educacion, Cultura y Deporte for a predoctoral (FPU) grant. L. Pineiro-Lopez thanks the Generalitat Valenciana for a research grant in the framework PROMETEO/2012/049. en_EN
dc.language Inglés es_ES
dc.publisher Royal Society of Chemistry es_ES
dc.relation.ispartof CrystEngComm es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2] es_ES
dc.type Artículo es_ES
dc.embargo.lift 10000-01-01
dc.embargo.terms forever es_ES
dc.identifier.doi 10.1039/c3ce00003f
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//CTQ2010-18414/ES/MATERIALES MULTIPROPIEDAD BASADOS EN EL FENOMENO "SPIN CROSSOVER": MEMORIAS Y SENSORES MOLECULARES/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//PROMETEO%2F2011%2F008/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//PROMETEO%2F2012%2F049/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//ACOMP%2F2012%2F233/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//CSD2010-00065/ES/Aplicación de la Química Supramolecular al Diseño, Síntesis y Estudio de Compuestos Bioactivos de Acción Antiinflamatoria, Antitumoral o Antiparasitaria/ / es_ES
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.description.bibliographicCitation Arcís-Castillo, Z.; Piñeiro-López, L.; Muñoz Roca, MDC.; Ballesteros, R.; Abarca Gonzalez, B.; Real Cabezos, JA. (2013). Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]. CrystEngComm. 15:3455-3462. https://doi.org/10.1039/c3ce00003f es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1039/c3ce00003f es_ES
dc.description.upvformatpinicio 3455 es_ES
dc.description.upvformatpfin 3462 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 15 es_ES
dc.relation.senia 246057
dc.contributor.funder Generalitat Valenciana es_ES
dc.contributor.funder Ministerio de Ciencia e Innovación es_ES
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