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

doi:10.1039/c4cc05522e

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

Nanoporous Materials Genome Center

Research output: Contribution to journal › Article › peer-review

64 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 [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. 2014

Original language	English (US)
Pages (from-to)	15513-15516
Number of pages	4
Journal	Chemical Communications
Volume	50
Issue number	98
DOIs	https://doi.org/10.1039/c4cc05522e
State	Published - Nov 23 2014

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10.1039/c4cc05522e

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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. 2014",

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AU - Gupta, Tulika

AU - Shanmugam, Maheswaran

AU - Rajaraman, Gopalan

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AB - 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. 2014

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

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