Spin state of two mononuclear iron(II) complexes of a tridentate bis(imino)pyridine N-donor ligand: Experimental and theoretical investigations
| dc.rights.license | open | en_US |
| dc.contributor.author | BAYEH, Yosef | |
| dc.contributor.author | OSUSKÝ, Patrik | |
| hal.structure.identifier | Centre de Recherche Paul Pascal [CRPP] | |
| dc.contributor.author | YUTRONKIE, Nathan J. | |
| dc.contributor.author | GYEPES, Róbert | |
| dc.contributor.author | SERGAWIE, Assefa | |
| dc.contributor.author | HROBÁRIK, Peter | |
| hal.structure.identifier | Centre de Recherche Paul Pascal [CRPP] | |
| dc.contributor.author | CLÉRAC, Rodolphe | |
| dc.contributor.author | THOMAS, Madhu | |
| dc.date.accessioned | 2022-11-24T08:52:07Z | |
| dc.date.available | 2022-11-24T08:52:07Z | |
| dc.date.issued | 2022-11-15 | |
| dc.identifier.issn | 0277-5387 | en_US |
| dc.identifier.uri | oai:crossref.org:10.1016/j.poly.2022.116136 | |
| dc.identifier.uri | https://oskar-bordeaux.fr/handle/20.500.12278/170367 | |
| dc.description.abstractEn | Investigations on the spin states of octahedral Fe(II) complexes have received special attention due to their clear discrimination in the spin states of the d-orbitals. As a means to further understand the factors that influence the spin-crossover (SCO) phenomenon in Fe(II) systems, we herein report two mononuclear Fe(II) complexes, [FeL2](ClO4)2·2CH3OH (1) and [FeL2](BF4)2·CH3CN·CH3OH (2), derived from a novel N3-donor Schiff base ligand, 2,6-bis[(3-methylbenzylimino)methyl]pyridine (L) with varying counteranion and the diamagnetic [ZnL2](BF4)2 congener for a comparative investigation. The complexes have been synthesized and characterized by electrospray-ionization mass spectrometry (ESI-MS), Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR) spectroscopy, single-crystal X-ray diffraction (XRD) and magnetic susceptibility studies. Structural and magnetic investigations reveal that both 1 and 2 show Fe__N6 distorted octahedral geometry and are locked in the diamagnetic LS state throughout the entire explored temperature range from 1.8 to 400 K. The LS state of [FeL2]2+ is also confirmed by comparing the experimentally found structural parameters, NMR chemical shifts and excitation energies in the visible region with density functional theory (DFT) calculations. | |
| dc.language.iso | EN | en_US |
| dc.source | crossref | |
| dc.subject.en | Fe(II) complexes | |
| dc.subject.en | Schiff base | |
| dc.subject.en | Octahedral | |
| dc.subject.en | Low-spin and DFT calculation | |
| dc.title.en | Spin state of two mononuclear iron(II) complexes of a tridentate bis(imino)pyridine N-donor ligand: Experimental and theoretical investigations | |
| dc.type | Article de revue | en_US |
| dc.identifier.doi | 10.1016/j.poly.2022.116136 | en_US |
| dc.subject.hal | Chimie/Matériaux | en_US |
| bordeaux.journal | Polyhedron | en_US |
| bordeaux.page | 116136 | en_US |
| bordeaux.volume | 227 | en_US |
| bordeaux.hal.laboratories | Centre de Recherche Paul Pascal (CRPP) - UMR 5031 | en_US |
| bordeaux.institution | Université de Bordeaux | en_US |
| bordeaux.institution | CNRS | en_US |
| bordeaux.team | Matériaux moléculaires et magnétisme (M3) | en_US |
| bordeaux.peerReviewed | oui | en_US |
| bordeaux.inpress | non | en_US |
| bordeaux.import.source | dissemin | |
| hal.identifier | hal-03868992 | |
| hal.version | 1 | |
| hal.date.transferred | 2022-11-24T08:52:20Z | |
| hal.export | true | |
| workflow.import.source | dissemin | |
| 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=Polyhedron&rft.date=2022-11-15&rft.volume=227&rft.spage=116136&rft.epage=116136&rft.eissn=0277-5387&rft.issn=0277-5387&rft.au=BAYEH,%20Yosef&OSUSK%C3%9D,%20Patrik&YUTRONKIE,%20Nathan%20J.&GYEPES,%20R%C3%B3bert&SERGAWIE,%20Assefa&rft.genre=article |
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