Unprecedented magnetic relaxation via the fourth excited state in low-coordinate lanthanide single-ion magnets: a theoretical perspective
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Updated: Mar 1, 2026

Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
Saurabh Kumar Singh1, Tulika Gupta, Maheswaran Shanmugam
1Department of Chemistry, Indian Institute of Technology Bombay, Mumbai, 400076, India. rajaraman@chem.iitb.ac.in eswar@chem.iitb.ac.in.
Abstract:
Four low-coordinate SIMs have been studied to probe their relaxation dynamics using ab initio calculations. Our calculations reveal that both the symmetry and the equatorial ligand field play a key role in controlling the barrier heights in three-coordinate [Ln(III)(NSiMe3)3] complexes (Ln = Dy/Er). This study reveals an unprecedented blockade of magnetization up to three excited states for the Er(III) complex.
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