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dc.rights.licenseopenen_US
dc.contributor.authorZHOU, Zheng
dc.contributor.authorMCNEELY, James
dc.contributor.authorGREENOUGH, Joshua
dc.contributor.authorWEI, Zheng
dc.contributor.authorHAN, Haixiang
hal.structure.identifierCentre de Recherche Paul Pascal [CRPP]
dc.contributor.authorROUZIERES, Mathieu
dc.contributor.authorROGACHEV, Andrey Yu.
hal.structure.identifierCentre de Recherche Paul Pascal [CRPP]
dc.contributor.authorCLERAC, Rodolphe
IDREF: 103790411
dc.contributor.authorPETRUKHINA, Marina A.
dc.date.accessioned2022-06-16T15:22:27Z
dc.date.available2022-06-16T15:22:27Z
dc.date.issued2022
dc.identifier.issn2041-6520, 2041-6539en_US
dc.identifier.otherhttps://www.rsc.org/suppdata/d2/sc/d2sc00631f/d2sc00631f1.pdfen_US
dc.identifier.otherhttps://www.rsc.org/suppdata/d2/sc/d2sc00631f/d2sc00631f2.cifen_US
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/140255
dc.description.abstractEnThe synthesis of a novel family of homoleptic COT-based heterotrimetallic self-assemblies bearing the formula [LnKCa(COT)3(THF)3] (Ln(III) = Gd, Tb, Dy, Ho, Er, Tm, and Yb) is reported followed by their X-ray crystallographic and magnetic characterization. All crystals conform to the monoclinic P21/c space group with a slight compression of the unit cell from 3396.4(2) Å3 to 3373.2(4) Å3 along the series. All complexes exhibit a triple-decker structure having the Ln(III) and K(I) ions sandwiched by three COT2− ligands with an end-bound {Ca2+(THF)3} moiety to form a non-linear (153.5°) arrangement of three different metals. The COT2− ligands act in a η8-mode with respect to all metal centers. A detailed structural comparison of this unique set of heterotrimetallic complexes has revealed consistent trends along the series. From Gd to Yb, the Ln to ring-centroid distance decreases from 1.961(3) Å to 1.827(2) Å. In contrast, the separation of K(I) and Ca(II) ions from the COT-centroid (2.443(3) and 1.914(3) Å, respectively) is not affected by the change of Ln(III) ions. The magnetic property investigation of the [LnKCa(COT)3(THF)3] series (Ln(III) = Gd, Tb, Dy, Ho, Er, and Tm) reveals that the Dy, Er, and Tm complexes display slow relaxation of their magnetization, in other words, single-molecule magnet (SMM) properties. This behaviour is dominated by thermally activated (Orbach-like) and quantum tunneling processes for [DyKCa(COT)3(THF)3] in contrast to [ErKCa(COT)3(THF)3], in which the thermally activated and Raman processes appear to be relevant. Details of the electronic structures and magnetic properties of these complexes are further clarified with the help of DFT and ab initio theoretical calculations
dc.language.isoENen_US
dc.rightsAttribution-NonCommercial 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by-nc/3.0/us/*
dc.title.enLanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies
dc.title.alternativeChem. Sci.en_US
dc.typeArticle de revueen_US
dc.identifier.doi10.1039/D2SC00631Fen_US
dc.subject.halChimie/Matériauxen_US
bordeaux.journalChemical Scienceen_US
bordeaux.page3864-3874en_US
bordeaux.volume13en_US
bordeaux.hal.laboratoriesCentre de Recherche Paul Pascal (CRPP) - UMR 5031en_US
bordeaux.issue13en_US
bordeaux.institutionUniversité de Bordeauxen_US
bordeaux.institutionCNRSen_US
bordeaux.teamMatériaux moléculaires et magnétisme (M3)
bordeaux.peerReviewedouien_US
bordeaux.inpressnonen_US
hal.exportfalse
dc.rights.ccCC BY-NDen_US
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Chemical%20Science&rft.date=2022&rft.volume=13&rft.issue=13&rft.spage=3864-3874&rft.epage=3864-3874&rft.eissn=2041-6520,%202041-6539&rft.issn=2041-6520,%202041-6539&rft.au=ZHOU,%20Zheng&MCNEELY,%20James&GREENOUGH,%20Joshua&WEI,%20Zheng&HAN,%20Haixiang&rft.genre=article


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