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http://hdl.handle.net/10261/118085
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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Lorusso, Giulia | - |
dc.contributor.author | Morales, Juan José | - |
dc.contributor.author | Evangelisti, Marco | - |
dc.contributor.author | Bendix, Jesper | - |
dc.date.accessioned | 2015-07-16T09:31:00Z | - |
dc.date.available | 2015-07-16T09:31:00Z | - |
dc.date.issued | 2014 | - |
dc.identifier | doi: 10.1002/anie.201308240 | - |
dc.identifier | issn: 1433-7851 | - |
dc.identifier | e-issn: 1521-3773 | - |
dc.identifier.citation | Angewandte Chemie - International Edition 52(40): 10458-10462 (2013) | - |
dc.identifier.uri | http://hdl.handle.net/10261/118085 | - |
dc.description | et al. | - |
dc.description.abstract | The reaction of fac-[MIIIF3(Me3tacn)] ×x H2O with Gd(NO3)3×5H 2O affords a series of fluoride-bridged, trigonal bipyramidal {GdIII 3MIII 2} (M=Cr (1), Fe (2), Ga (3)) complexes without signs of concomitant GdF3 formation, thereby demonstrating the applicability even of labile fluoride-complexes as precursors for 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight ligand sphere, gives rise to large magnetic entropy changes of 38.3 J kg-1 K-1 (1) and 33.1 J kg-1 K-1 (2) for the field change 7 T→0 T. Interestingly, the entropy change, and the magnetocaloric effect, are smaller in 2 than in 1 despite the larger spin ground state of the former secured by intramolecular Fe-Gd ferromagnetic interactions. This observation underlines the necessity of controlling not only the ground state but also close-lying excited states for successful design of molecular refrigerants. | - |
dc.description.sponsorship | K.S.P. and S.P. thank the Danish Ministry of Science Innovation and Higher Education for an EliteForsk travel grant and a Sapere Aude Fellowship (10-081659), respectively. G.L., J.J.M., and M.E. acknowledge financial support by the Spanish MINECO through grant MAT2012-38318-C03-01. G.L. is also grateful to the EC for a Marie Curie-IEF (PIEF-GA-2011-299356). G.R. would like to thank DST, India (SR/S1/IC-41/2010; SR/NM/NS-1119/2011) for funding and IITB for HPC resources. S.K.S. thanks CSIR for a SRF fellowship. | - |
dc.publisher | Wiley-VCH | - |
dc.relation | info:eu-repo/grantAgreement/EC/FP7/299356 | - |
dc.relation.isversionof | Postprint | - |
dc.rights | openAccess | - |
dc.subject | Magnetische Kühlung | - |
dc.subject | Magnetische Eigenschaften | - |
dc.subject | Lanthanoide | - |
dc.subject | Fluoridliganden | - |
dc.subject | Dichtefunktionalrechnungen | - |
dc.title | Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1002/anie.201308240 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1002/anie.201308240 | - |
dc.date.updated | 2015-07-16T09:31:01Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.contributor.funder | European Commission | - |
dc.contributor.funder | Danish Agency for Science, Technology and Innovation | - |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | - |
dc.contributor.funder | Department of Science and Technology (India) | - |
dc.contributor.funder | Council for Scientific and Industrial Research (India) | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100000780 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100001409 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
Aparece en las colecciones: | (ICMA) Artículos |
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Fluoride-bridged.pdf | 281,7 kB | Adobe PDF | Visualizar/Abrir |
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