Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study

Release Time:2019-11-06  Hits:

Indexed by: Journal Papers

Date of Publication: 2019-07-28

Journal: DALTON TRANSACTIONS

Included Journals: EI、SCIE

Volume: 48

Issue: 28

Page Number: 10407-10411

ISSN: 1477-9226

Abstract: To conclude the design principle for high-performance erbium-based single-ion magnets (SIMs), two half-sandwich type erbium complexes 1Er [(LOMe)Er(COT)] (LOMe = [(eta(5)-C5H5)Co{P(O)(OMe)(2)}(3)], COT = cyclooctatetraenyl) and 2Er [(THF)(2)(OAr)Er(COT)] (Ar = 2,6-Dipp(2)C(6)H(3), Dipp = 2,6-diisopropylphenyl) were synthesized, and structurally and magnetically characterized. Both of them exhibited SIM behavior. Their magnetic relaxation behaviours were further elucidated by ab initio calculations and near-IR emission spectroscopy. The results demonstrated that an axial ligand with a weaker electron-donating effect was preferential to construct high blocking barrier erbium-based SIMs.

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