Amb motiu del tancament d'estiu, la validació de documents es reprendrà a partir del 28 d'agost de 2026. Disculpeu les molèsties.
Con motivo del cierre de verano, la validación de documentos se reanudará a partir del 28 de agosto de 2026. Disculpad las molestias
Due to the summer closure, document validation will resume starting August 28, 2026. We apologize for any inconvenience.

Files

667699.pdf (3.07 MB)

Document type

Article

Version

Published version

Publication date

2017-01-17

Publication license

cc-by (c) Escriche Tur, Luis et al., 2017
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/108346

Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear MnII complexes: impact of magnetic coupling

Journal Title

Authors

Director/Tutor

Journal ISSN

Volume Title

Related resource

https://doi.org/10.1039/c6dt04012h

Abstract

A family of new MnII compounds, consisting of seven dinuclear, three mononuclear, and four trinuclear ones, were synthesised using benzoic acid derivatives n-RC6H4COOH, where n-R = 2-MeO, 3-MeO, 4-MeO, or 4-tBu, and 2,2′-bipyridine (bpy) or 1,10-phenantroline (phen) as blocking ligands. The crystal structures of nine of these compounds and the magnetic studies of all of them are reported here. Each type of compound was formed depending on the presence or absence of ClO4− ions, the solvent used, and/or the presence of a small amount of water in the reaction medium. The use of the tert-buthylbenzoate ligand gave unexpected results, very likely due to the steric hindrance caused by the voluminous tBu groups. The EPR spectra of each type of compound give some peculiar features that allow its identification. Attempts to fit these spectra have been made in order to determine the ZFS parameters, D and E, of the MnII ion (for mononuclear and dinuclear systems) or of the ground state (for trinuclear systems). For trinuclear systems, the single-ion ZFS parameters estimated from those of the ground state provided a good simulation of the EPR spectra of these compounds. The EPR signals observed in each case have been rationalised according to the energy level distribution and the plausible population in the excited states. In some particular situations, the sign of DMn could be determined from the fit of the EPR spectra of the antiferromagnetic dinuclear compounds, the source of the difference between the spectra lying in the second excited state.

Subject

Materials magnètics, Cristal·lització, Espectroscòpia de ressonància paramagnètica electrònica, Manganès

Subject (English)

Magnetic materials, Crystallization, Electron paramagnetic resonance spectroscopy, Manganese

Citation

Collections

Articles publicats en revistes (Química Inorgànica i Orgànica)

Citation

ESCRICHE TUR, Luis, et al. Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear MnII complexes: impact of magnetic coupling. Dalton Transactions. 2017. Vol. 46, num. 2699-2714. ISSN 1477-9226. [consulted: 12 of August of 2026]. Available at: https://hdl.handle.net/2445/108346

Export metadata

JSON - METS

Share record