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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.rights.license | open | en_US |
| dc.contributor.author | JANA, Narayan Ch. | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | QI, Xing-Hui | |
| dc.contributor.author | BRANDAO, Paula | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| hal.structure.identifier | Centre de Recherche Paul Pascal [CRPP] | |
| dc.contributor.author | MATHONIERE, Corine | |
| dc.contributor.author | PANJA, Anangamohan | |
| dc.date.accessioned | 2022-06-13T13:48:05Z | |
| dc.date.available | 2022-06-13T13:48:05Z | |
| dc.date.issued | 2022 | |
| dc.identifier.issn | 1528-7483, 1528-7505 | en_US |
| dc.identifier.uri | https://oskar-bordeaux.fr/handle/20.500.12278/140194 | |
| dc.description.abstractEn | Three 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.iso | EN | en_US |
| dc.subject.en | Crystals | |
| dc.subject.en | Ligands | |
| dc.subject.en | Molecular structure | |
| dc.subject.en | Molecules | |
| dc.subject.en | Solvents | |
| dc.title.en | 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.title.alternative | Cryst. Growth Des. | |
| dc.type | Article de revue | en_US |
| dc.identifier.doi | 10.1021/acs.cgd.1c00417 | en_US |
| dc.subject.hal | Chimie/Matériaux | en_US |
| bordeaux.journal | Crystal Growth & Design | en_US |
| bordeaux.page | 993-1004 | en_US |
| bordeaux.volume | 22 | en_US |
| bordeaux.hal.laboratories | Centre de Recherche Paul Pascal (CRPP) - UMR 5031 | en_US |
| bordeaux.issue | 2 | en_US |
| bordeaux.institution | Université de Bordeaux | en_US |
| bordeaux.institution | Bordeaux INP | en_US |
| bordeaux.institution | CNRS | en_US |
| bordeaux.team | Matériaux moléculaires et magnétisme (M3) | |
| bordeaux.peerReviewed | oui | en_US |
| bordeaux.inpress | non | en_US |
| hal.identifier | hal-03562718 | |
| hal.version | 1 | |
| hal.export | true | |
| dc.rights.cc | Pas de Licence CC | en_US |
| bordeaux.COinS | ctx_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 |
