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dc.contributor.author | Bartual-Murgui, Carlos | es_ES |
dc.contributor.author | Piñeiro-López, Lucía | es_ES |
dc.contributor.author | Valverde-Muñoz, Francisco Javier | es_ES |
dc.contributor.author | Muñoz Roca, María Del Carmen | es_ES |
dc.contributor.author | Seredyuk, Maksym | es_ES |
dc.contributor.author | Real, José Antonio | es_ES |
dc.date.accessioned | 2020-10-28T04:32:58Z | |
dc.date.available | 2020-10-28T04:32:58Z | |
dc.date.issued | 2017-11-06 | es_ES |
dc.identifier.issn | 0020-1669 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/153367 | |
dc.description | This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.7b02272 | es_ES |
dc.description.abstract | [EN] Understanding the origin of cooperativity and the equilibrium temperature of transition (T1/2) displayed by the spin-crossover (SCO) compounds as well as controlling these parameters are of paramount importance for future applications. For this task, the occurrence of polymorphism, presented by a number of SCO complexes, may provide deep insight into the influence of the supramolecular organization on the SCO behavior. In this context, herein we present a novel family of mononuclear octahedral FeII complexes with formula cis- [Fe(bqen)(NCX)2], where bqen is the chelating tetradentate ligand N,N¿-bis(8-quinolyl)ethane-1,2-diamine and X = S, Se. Depending on the preparation method, these compounds crystallize in either the orthorhombic or the trigonal symmetry systems. While the orthorhombic phase is composed of a racemic mixture of mononuclear complexes (polymorph I), the trigonal phase contains only one of the two possible enantiomers (¿ or ¿), thereby generating a chiral crystal (polymorph II). The four derivatives undergo SCO behavior with well-differentiated T1/2 values occurring in the interval 90¿233 K. On one hand, T1/2 is about 110 K (polymorph I) and 87 K (polymorph II) higher for the selenocyanate derivatives in comparison to those for their thiocyanate counterparts. These differences in T1/2 are ascribed not only to the higher ligand field induced by the selenocyanate anion but also to a remarkable difference in the structural reorganization of the [FeN6] coordination core upon SCO. Likewise, the higher cooperativity observed for the thiocyanate derivatives seems to be related to their stronger intermolecular interactions within the crystal. On the other hand, T1/2 is about 53 K (thiocyanate) and 29 K (selenocyanate) higher for the trigonal polymorph II in comparison to those for the orthorhombic polymorph I. These differences, and the small changes observed in cooperativity, stem from the slightly different hetero- and homochiral crystal packing generated by the cis-[Fe(bqen)(NCX)2] molecules, which determines subtle adaptations in the intermolecular contacts and the FeII coordination core. | es_ES |
dc.description.sponsorship | We thank the Spanish Ministerio de Economia y Competitividad (MINECO) and FEDER funds (CTQ2013-46275-P and CTQ2016-78341-P and Unidad de Excelencia Maria de Maeztu MDM-2015-0538), Generalitat Valenciana (PROM-ETEO/2016/147), and EU Framework Program for Research and Innovation (RISE project number 734322). FJ.V.-M. thanks MINECO for a predoctoral FPI grant | es_ES |
dc.language | Inglés | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation.ispartof | Inorganic Chemistry | es_ES |
dc.rights | Reserva de todos los derechos | es_ES |
dc.subject.classification | FISICA APLICADA | es_ES |
dc.title | Chiral and Racemic Spin Crossover Polymorphs in a Family of Mononuclear Iron(II) Compounds | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1021/acs.inorgchem.7b02272 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/734322/EU/Multifunctional Spin Crossover Materials/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//CTQ2013-46275-P/ES/SENSORES Y MEMORIAS BASADOS EN MATERIALES BIESTABLES CON TRANSICION DE ESPIN/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/GVA//PROMETEO2016%2F147/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//CTQ2016-78341-P/ES/MATERIALES SPIN CROSSOVER BIESTABLES: DE LAS PROPIEDADES MACROSCOPICAS A LA ESPINTRONICA MOLECULAR/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//MDM-2015-0538/ES/INSTITUTO DE CIENCIA MOLECULAR/ | es_ES |
dc.rights.accessRights | Abierto | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada | es_ES |
dc.description.bibliographicCitation | Bartual-Murgui, C.; Piñeiro-López, L.; Valverde-Muñoz, FJ.; Muñoz Roca, MDC.; Seredyuk, M.; Real, JA. (2017). Chiral and Racemic Spin Crossover Polymorphs in a Family of Mononuclear Iron(II) Compounds. Inorganic Chemistry. 56(21):13535-13546. https://doi.org/10.1021/acs.inorgchem.7b02272 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | https://doi.org/10.1021/acs.inorgchem.7b02272 | es_ES |
dc.description.upvformatpinicio | 13535 | es_ES |
dc.description.upvformatpfin | 13546 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 56 | es_ES |
dc.description.issue | 21 | es_ES |
dc.identifier.pmid | 29048915 | es_ES |
dc.relation.pasarela | S\351182 | es_ES |
dc.contributor.funder | Generalitat Valenciana | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad | es_ES |