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Unprecedented magnetic relaxation via the fourth excited state in low-coordinate lanthanide single-ion magnets: a theoretical perspective.

Authors
  • Singh, Saurabh Kumar
  • Gupta, Tulika
  • Shanmugam, Maheswaran
  • Rajaraman, Gopalan
Type
Published Article
Journal
Chemical Communications
Publisher
The Royal Society of Chemistry
Publication Date
Dec 21, 2014
Volume
50
Issue
98
Pages
15513–15516
Identifiers
DOI: 10.1039/c4cc05522e
PMID: 25355077
Source
Medline
License
Unknown

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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