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)

• Record Type: Journal Article
• Authors: Meng, Yin-Shan; Yang, Mu-Wen; Xu, Ling; Xiong, Jin; Hu, Ji-Yun; Liu, Tao; Wang, Bing-Wu; Gao, Song
• Is Part Of: Dalton transactions. Volume 48:Issue 28(2019)
• Page Start: 10407
• Page End: 10411
• Publication Date: 2019-06-26
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c9dt01954e
• Languages: English
• ISSNs: 1477-9226

Abstract

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.