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

Saurabh Kumar Singh, Tulika Gupta, Maheswaran Shanmugam, Gopalan Rajaraman

Research output: Contribution to journalArticlepeer-review

60 Scopus citations

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 [LnIII(NSiMe3)3] complexes (Ln = Dy/Er). This study reveals an unprecedented blockade of magnetization up to three excited states for the Er(iii) complex.

Original languageEnglish (US)
Pages (from-to)15513-15516
Number of pages4
JournalChemical Communications
Volume50
Issue number98
DOIs
StatePublished - Dec 21 2014

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