Issue 83, 2024

Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes

Abstract

Introducing magnetic coupling between lanthanide ions has been shown to yield better-performing single-molecule magnets (SMMs), as exemplified by the Cp2iPr5Ln2I3 family of compounds (CpiPr5: pentaisopropylcyclopentadienyl, Ln: Gd, Tb, or Dy). This unique coupling is mediated through an unpaired electron hosted in a σ-like orbital, that results from the two 5dz2 Ln ions, and understanding these interactions holds the key to continue advancing the rational design of SMMs. Here, we focus on the Cp2iPr5Gd2I3 spin-only system and apply a recently proposed DFT-based decomposition scheme to assess the chemical and structural factors that affect the magnetic coupling. Based on these, we propose synthetically feasible systems with increased coupling.

Graphical abstract: Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes

Supplementary files

Article information

Article type
Communication
Submitted
21 Jun 2024
Accepted
24 Sep 2024
First published
25 Sep 2024
This article is Open Access
Creative Commons BY-NC license

Chem. Commun., 2024,60, 11988-11991

Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes

G. David, B. Le Guennic and D. Reta, Chem. Commun., 2024, 60, 11988 DOI: 10.1039/D4CC03025G

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