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Spin crossover and high-spin state in Fe(II) anionic polymorphs based on tripodal ligands

hal.structure.identifierChimie, Electrochimie Moléculaires et Chimie Analytique [CEMCA]
dc.contributor.authorCUZA, Emmelyne
hal.structure.identifierChimie, Electrochimie Moléculaires et Chimie Analytique [CEMCA]
dc.contributor.authorMEKUIMEMBA, Cle Donacier
hal.structure.identifierChimie, Electrochimie Moléculaires et Chimie Analytique [CEMCA]
dc.contributor.authorCOSQUER, Nathalie
hal.structure.identifierChimie, Electrochimie Moléculaires et Chimie Analytique [CEMCA]
dc.contributor.authorCONAN, Françoise
hal.structure.identifierCristallographie, Résonance Magnétique et Modélisations [CRM2]
dc.contributor.authorPILLET, Sébastien
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCHASTANET, Guillaume
hal.structure.identifierChimie, Electrochimie Moléculaires et Chimie Analytique [CEMCA]
dc.contributor.authorTRIKI, Smail
dc.date.issued2021
dc.identifier.issn0020-1669
dc.description.abstractEnTwo new mononuclear Fe(II) polymorphs, [(C2H5)4N]2[Fe(py3C-OEt)(NCS)3]2 (1) and [(C2H5)4N][Fe(py3C-OEt)(NCS)3] (2) (py3C-OEt = tris(pyridin-2-yl)ethoxymethane), have been synthesized and characterized by single-crystal X-ray diffraction, by magnetic and photomagnetic measurements, and by detailed variable-temperature infrared spectroscopy. The molecular structure, in both complexes, is composed of the same anionic [Fe(py3C-OEt)(NCS)3]− complex (two units for 1 and one unit for 2) generated by coordination to the Fe(II) metal center of one tridentate py3C-OEt tripodal ligand and three terminal κN-SCN coligands. Magnetic studies revealed that polymorph 2 displays a high-spin (HS) state over the entire studied temperature range (300–10 K), while complex 1 exhibits an abrupt and complete spin crossover (SCO) transition at ca. 132.3 K, the structural characterizations of which, performed at 295 and 100 K, show a strong modification, resulting from the thermal evolutions of the Fe–N bond lengths and of the distortion parameters (∑ and Θ) of the FeN6 coordination sphere, in agreement with the presence of HS and low-spin (LS) states at 295 and 100 K, respectively. This thermal transition has been also confirmed by the thermal evolution of the maximum absorbance for ν(NCS) vibrational bands recorded in the temperature range 200–10 K. In 1 the signature of a metastable photoinduced HS state has been observed using photomagnetic and photoinfrared spectroscopy, leading to a similar T(LIESST) relaxation temperature (LIESST = light-induced excited spin-state trapping) of 70 K.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enSpin crossover and high-spin state in Fe(II) anionic polymorphs based on tripodal ligands
dc.typeArticle de revue
dc.identifier.doi10.1021/acs.inorgchem.1c00335
dc.subject.halChimie/Chimie de coordination
bordeaux.journalInorganic Chemistry
bordeaux.page6536-6549
bordeaux.volume60
bordeaux.issue9
bordeaux.peerReviewedoui
hal.identifierhal-03224404
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03224404v1
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