Issue 5, 2024

Understanding Single-Molecule Magnet properties of lanthanide complexes from 4f orbital splitting

Abstract

We present an approach for connecting the magnetic anisotropy of lanthanide mononuclear complexes with their f-orbital splitting for both idealized and real coordination environments. Our proposal is straightforward to apply and provides sensible estimations of the energy spacing of the ground multiplet for axial magnetic systems. This energy splitting controls Single-Molecule Magnet properties of lanthanide complexes, determining key parameters such as the demagnetization energy barrier (Ueff). Importantly, this approach is consistent with the current paradigm of oblate and prolate preferences for the distribution of the f-electron density, but delivers a finer description for ions belonging to the same group (e.g. the oblates TbIII and DyIII). The model provides simple explanations for some general trends observed experimentally (e.g. the low barriers for ErIII complexes in comparison to DyIII or the large barriers observed for cyclopentadienyl DyIII complexes in comparison with other ligands based on organometallic rings), contributing as a valuable tool to expand our description of ligand field effects in lanthanide-based SMMs.

Graphical abstract: Understanding Single-Molecule Magnet properties of lanthanide complexes from 4f orbital splitting

Supplementary files

Article information

Article type
Paper
Submitted
26 Oct 2023
Accepted
18 Dec 2023
First published
19 Dec 2023

Dalton Trans., 2024,53, 2207-2217

Understanding Single-Molecule Magnet properties of lanthanide complexes from 4f orbital splitting

Y. Gil and D. Aravena, Dalton Trans., 2024, 53, 2207 DOI: 10.1039/D3DT04179D

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements