BAYEH, Yosef; OSUSKÝ, Patrik; YUTRONKIE, Nathan J.; GYEPES, Róbert; SERGAWIE, Assefa; HROBÁRIK, Peter; CLÉRAC, Rodolphe; THOMAS, Madhu

doi:10.1016/j.poly.2022.116136

Métadonnées

Afficher la notice complète

Licence d’utilisation du document

BAYEH, Yosef

OSUSKÝ, Patrik

YUTRONKIE, Nathan J.
Centre de Recherche Paul Pascal [CRPP]

Langue

Article de revue

Ce document a été publié dans

Polyhedron. 2022-11-15, vol. 227, p. 116136

Résumé en anglais

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.< Réduire

Mots clés en anglais

Fe(II) complexes

Schiff base

Octahedral

Low-spin and DFT calculation

Métadonnées

Partager cette publication !

Licence d’utilisation du document

Spin state of two mononuclear iron(II) complexes of a tridentate bis(imino)pyridine N-donor ligand: Experimental and theoretical investigations

Langue

Ce document a été publié dans

Résumé en anglais

Mots clés en anglais

URI

DOI

Unités de recherche