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

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Indexed by:Journal Papers

Date of Publication:2019-07-28

Journal:DALTON TRANSACTIONS

Included Journals:SCIE、EI

Volume:48

Issue:28

Page Number:10407-10411

ISSN No.: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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