Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study. Issue 28 (26th June 2019) - Meng, Yin-Shan
Abstract : In this work, we demonstrated the design principle for high-performance erbium-based single-ion magnets (SIMs) by comparing two half-sandwich type erbium complexes. Abstract : To conclude the design principle for high-performance erbium-based single-ion magnets (SIMs), two half-sandwich type erbium complexes1Er [(LOMe)Er(COT)] (LOMe = [(η5 -C5 H5 )Co{P(O)(OMe)2 }3 ], COT = cyclooctatetraenyl) and2Er [(THF)2 (OAr)Er(COT)] (Ar = 2, 6-Dipp2 C6 H3, 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.