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dc.rights.licenseopenen_US
dc.contributor.authorJANA, Narayan Ch.
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorQI, Xing-Hui
dc.contributor.authorBRANDAO, Paula
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierCentre de Recherche Paul Pascal [CRPP]
dc.contributor.authorMATHONIERE, Corine
dc.contributor.authorPANJA, Anangamohan
dc.date.accessioned2022-06-13T13:48:05Z
dc.date.available2022-06-13T13:48:05Z
dc.date.issued2022
dc.identifier.issn1528-7483, 1528-7505en_US
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/140194
dc.description.abstractEnThree new mononuclear cobalt compounds─trans-[Co(3,5-dbcat)(3,5-dbsq)(4-Etpy)2]·CH3CN (1), cis-[Co(3,5-dbcat)(3,5-dbsq)(3-NH2py)2]·DMF (2), and trans-[Co(3,5-dbcat)(3,5-dbsq)(4-NH2py)2]·2DMF (3) (where 3,5-dbcat2– and 3,5-dbsq• – stand for 3,5-di-tert-butyl-catecholate and 3,5-di-tert-butyl-semiquinonate, respectively), derived from a redox-active o-dioxolene ligand in the presence of 4-ethylpyridine (4-Etpy), 3-aminopyridine (3-NH2py), and 4-aminopyridine (4-NH2py), respectively─have been synthesized and investigated with a view to examine possible influence of pyridine derivatives and solvation on the valence tautomeric (VT) process. Single-crystal X-ray diffraction data for all compounds at room temperature suggest Co(III)(3,5-dbcat)(3,5-dbsq) charge distribution in these complexes. Further insight into the crystal structures discloses the diverse non-covalent interactions offered by the isomers of aminopyridine in 2 and 3, leading to the first example of selective isolation of cis and trans isomers in cobalt-dioxolene chemistry induced by the positional isomers of the ancillary ligands. Variable temperature magnetic susceptibility data for all compounds between 2 K and 300 K are consistent with the structural studies. At elevated temperatures, complex 1 exhibits a VT interconversion from low spin Co(III)-(3,5-dbcat)(3,5-dbsq) to high spin Co(II)-(3,5-dbsq)(3,5-dbsq), triggered by the loss of lattice solvent molecules, while a partial interconversion is observed for complex 3, even heating up to 430 K. The present report overall highlights the impact of positional isomers on the selective isolation of cis-trans isomers in cobalt-dioxolene chemistry and solvation effects on the valence tautomerism in the solid state.
dc.language.isoENen_US
dc.subject.enCrystals
dc.subject.enLigands
dc.subject.enMolecular structure
dc.subject.enMolecules
dc.subject.enSolvents
dc.title.enImpact of Positional Isomers on the Selective Isolation of cis-trans Isomers in Cobalt-Dioxolene Chemistry and Solvation Effects on the Valence Tautomerism in the Solid State
dc.title.alternativeCryst. Growth Des.
dc.typeArticle de revueen_US
dc.identifier.doi10.1021/acs.cgd.1c00417en_US
dc.subject.halChimie/Matériauxen_US
bordeaux.journalCrystal Growth & Designen_US
bordeaux.page993-1004en_US
bordeaux.volume22en_US
bordeaux.hal.laboratoriesCentre de Recherche Paul Pascal (CRPP) - UMR 5031en_US
bordeaux.issue2en_US
bordeaux.institutionUniversité de Bordeauxen_US
bordeaux.institutionBordeaux INPen_US
bordeaux.institutionCNRSen_US
bordeaux.teamMatériaux moléculaires et magnétisme (M3)
bordeaux.peerReviewedouien_US
bordeaux.inpressnonen_US
hal.identifierhal-03562718
hal.version1
hal.exporttrue
dc.rights.ccPas de Licence CCen_US
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Crystal%20Growth%20&%20Design&rft.date=2022&rft.volume=22&rft.issue=2&rft.spage=993-1004&rft.epage=993-1004&rft.eissn=1528-7483,%201528-7505&rft.issn=1528-7483,%201528-7505&rft.au=JANA,%20Narayan%20Ch.&QI,%20Xing-Hui&BRANDAO,%20Paula&MATHONIERE,%20Corine&PANJA,%20Anangamohan&rft.genre=article


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