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调节单核镝配合物中的赤道面晶体场以改善单分子磁性能。

Tuning the Equatorial Crystal-Field in Mononuclear Dy Complexes to Improve Single-Molecule Magnetic Properties.

作者信息

Zhu Li, Yin Bing, Ma Pengtao, Li Dongfeng

机构信息

Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P. R. China.

Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an 710127, P. R. China.

出版信息

Inorg Chem. 2020 Nov 16;59(22):16117-16121. doi: 10.1021/acs.inorgchem.0c01716. Epub 2020 Oct 23.

DOI:10.1021/acs.inorgchem.0c01716
PMID:33095003
Abstract

Two Dy complexes, [Dy(bbpen-F)X] [X = Cl (), Br (); Hbbpen-F = ,'-bis(2-hydroxybenzyl)-,'-bis(5-fluoro-2-methylpyridyl)ethylenediamine], have been synthesized that show remarkable single-molecule-magnet behavior with effective barriers of magnetic reversal of 837.7 K for and 1149.7 K for under zero direct-current field and hysteresis loops up to 20 K for and 30 K for , as confirmed by magnetic properties and ab initio calculations.

摘要

合成了两种镝配合物[Dy(bbpen-F)X](X = Cl(),Br();Hbbpen-F = ,'-双(2-羟基苄基)-,'-双(5-氟-2-甲基吡啶基)乙二胺),它们表现出显著的单分子磁体行为,在零直流场下,其磁反转有效势垒对于为837.7 K,对于为1149.7 K,并且对于的磁滞回线高达20 K,对于的磁滞回线高达30 K,这通过磁性性质和从头算计算得到证实。

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