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dc.contributor.authorBarrios, L. A.-
dc.contributor.authorBartual-Murgui, Carlos-
dc.contributor.authorPeyrecave-Lleixà, Eugènia-
dc.contributor.authorLe Guennic, Boris-
dc.contributor.authorTeat, Simon J.-
dc.contributor.authorRoubeau, Olivier-
dc.contributor.authorAromí, Guillem-
dc.identifierdoi: 10.1021/acs.inorgchem.5b02058-
dc.identifiere-issn: 1520-510X-
dc.identifierissn: 0020-1669-
dc.identifier.citationInorganic Chemistry 55(9): 4110-4116 (2016)-
dc.description.abstractWe show a marked tendency of Fe(II) to form heteroleptic [Fe(L)(L′)](ClO) complexes from pairs of chelating tris-imine 3bpp, tpy, or 2bbp ligands. New synthetic avenues for spin crossover research become thus available, here illustrated with three new heteroleptic compounds with differing magnetic behaviors: [Fe(HL1)(Cl-tpy)](ClO)·CHO (1), [Fe(HL3)(Me3bpp)](ClO)·CHO (2), [Fe(HL1)(2bbp)](ClO)·3CHO (3). Structural studies demonstrate that 1 is in the low-spin (LS) state up to 350 K, while complexes 2 and 3 are, by contrast, in the high-spin (HS) state down to 2 K, as corroborated through magnetic susceptibility measurements. Upon exposure to the atmosphere, the latter exhibits the release of three molecules of acetone per complex, turning into the solvent-free analogue [Fe(HL1)(2bbp)](ClO) (3a), through a single-crystal-to-single-crystal transformation. This guest extrusion process is accompanied by a spin switch, from HS to LS.-
dc.description.sponsorshipThe authors thank the Generalitat de Catalunya for the prize ICREA Academia 2008 and 2013 and the ERC for Starting Grant 258060 (G.A.), MINECO through MAT2014-53961-R (O.R.) and CTQ2012-32247 (G.A.), the CEI Iberus (C.B.M.), the ERC (StG 258060) for a Predoctoral Fellowship (E.P.L.), and a Postdoctoral contract (L.A.B.). The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy, contract no. DE-AC02-05CH11231 (S.J.T.). Computations were performed (B.L.G.) using HPC resources from GENCICINES and GENCI-IDRIS (Grant 2014-80649), which are acknowledged.-
dc.publisherAmerican Chemical Society-
dc.titleHomoleptic versus heteroleptic formation of mononuclear Fe(II) complexes with tris-imine ligands-
dc.description.versionPeer Reviewed-
dc.contributor.funderMinisterio de Economía y Competitividad (España)-
dc.contributor.funderGeneralitat de Catalunya-
dc.contributor.funderEuropean Research Council-
dc.contributor.funderCampus Iberus - Campus de Excelencia Internacional del Valle del Ebro-
dc.contributor.funderDepartment of Energy (US)-
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