Citation: Jia-hui JING, Bin LIU, Yin-shan MENG, Yi-quan ZHANG, Hai-quan LU, Shan-shan LIU. Crystal Structure, Magnetic Properties and Theoretical Investigation of a Dysprsoium Complex Based on 1-Phenyl-3-methyl-4-benzoyl-pyrazol-5-one[J]. Chinese Journal of Inorganic Chemistry, ;2021, 37(4): 623-628. doi: 10.11862/CJIC.2021.082 shu

Crystal Structure, Magnetic Properties and Theoretical Investigation of a Dysprsoium Complex Based on 1-Phenyl-3-methyl-4-benzoyl-pyrazol-5-one

Jia-hui JING ^{1, #} ,
Bin LIU ^{1, #} ,
Yin-shan MENG ^{2, 3} ,
Yi-quan ZHANG ⁴ ,
Hai-quan LU ¹ ,
Shan-shan LIU ^1,,

1.
Beijing Key Laboratory of Fuels Cleaning and Advanced Catalytic Emission Reduction Technology, College of Chemical Engineering, Beijing Institute of Petrochemical Technology, Beijing 102617, China
2.
State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian, Liaoning 116024, China
3.
Beijing National Laboratory for Molecular Sciences, Beijing Key Laboratory for Magnetoelectric Materials and Devices, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China
4.
Jiangsu Key Laboratory for NSLSCS, School of Physical Science and Technology, Nanjing Normal University, Nanjing 210023, China

Corresponding author: Shan-shan LIU, liushanshan2015@bipt.edu.cn
Received Date: 20 September 2020
Revised Date: 19 December 2020

Figures(7)

A mononuclear dysprosium complex [Dy(pmbp)₃(H₂O)₂]·CH₃CN(1)(Hpmbp=1-phenyl-3-methyl-4-benzoyl-pyrazol-5-one) was synthesized by the slow evaporation method. The complex exhibits a distorted square antiprism geometry around Dy(Ⅲ)ion, which coordinates to three pmbp^- and two H₂O ligands. The magnetic properties measurements show that 1 can exhibit a slow magnetic relaxation behavior under an applied dc field, and the effective energy barrier was 42 K. The ab intio calculations point out that the magnetic easy axis is along the direction of two pmbp^- ligands in trans position, and the g_z value of low-lying ground state was 18.818. Magneto-structural correlation studies analyzed the influence of conjugation effect in pmbp^- ligand on the magnetic anisotropy of complex 1.CCDC: 2032517.
- β-diketone,
- single-molecule magnet,
- magnetic anisotropy,
- conjugation effect
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