title: Unprecedented magnetic relaxation via the fourth excited state in low-coordinate lanthanide single-ion magnets: a theoretical perspective.
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.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Mumbai, 400076, India. rajaraman@chem.iitb.ac.in eswar@chem.iitb.ac.in.
authors.forename: Saurabh Kumar
authors.initials: SK
authors.lastname: Singh
authors.forename: Tulika
authors.initials: T
authors.lastname: Gupta
authors.forename: Maheswaran
authors.initials: M
authors.lastname: Shanmugam
authors.forename: Gopalan
authors.initials: G
authors.lastname: Rajaraman