文献类型： 外文期刊

作者： Zhang, Sheng ¹ ; Tang, Jiamin ¹ ; Li, Linzhou ¹ ; Yao, Linbin ¹ ; Zhang, Ronghu ² ; Yin, Bing ⁴ ;

作者机构： 1.Hainan Univ, Sch Sci, Haikou 570228, Peoples R China

2.Hainan Univ, Key Lab Trop Biol Resources, Minist Educ, Haikou 570228, Peoples R China

3.Hainan Acad Agr Sci, Inst Proc & Design Agroprod, Haikou 571100, Peoples R China

4.Northwest Univ, Coll Chem & Mat Sci, Lab Theoret Mol Magnetism, Xian 710127, Peoples R China

期刊名称：CRYSTAL GROWTH & DESIGN （ 影响因子：4.01； 五年影响因子：4.101 ）

ISSN： 1528-7483

年卷期： 2022 年 22 卷 9 期

页码：

收录情况： SCI

摘要： Three new mononuclear Dy(III) compounds with a Schiff base ligand (H2L = N,N'-bis(2-hydroxy-5-methyl-3-formylbenzyl)-N,N'-bis-(pyridin-2-ylmethyl)ethylenediamine) and different beta-diketonate co-ligands have been synthesized: [Dy(L)(tffb)] (1, tffb = 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione), [Dy(L)(fbta)] (2, fbta = 3-(4-fluorobenzoyl)-1,1,1-trifluor-oacetone), and [Dy(L)(tta)] (3, tta = thenoyltrifluoroacetone). Compounds 1-3 exhibit distorted N4O4 trigonal dodecahedron configurations with different coordination substituents leading to various axial Dy-O bond lengths and O-Dy-O bond angles. The magnetization dynamics of compounds 1-3 are apparently different. Compound 1, showing the best single-molecule magnet (SMM) properties here, has the longest tau QTM (0.357 x 10(-2) s in theory vs 0.134 x 10-2 s in experiment) and an experimentally fitted U(eff )of 94.76 K under a zero dc field. In 2 and 3, no reasonable U-eff could be fitted from the experimental data as no exponential dependence of tau on temperature is observed. This implies that the contribution of the Orbach pathway of 2 and 3 is even weaker than that of the Raman pathway. Both the accurate ab initio extraction and point charge electrostatic model show that 1 has the largest value of diagonal crystal field parameters, B20. This work verifies that the electronic structure of 1 is more suitable for SMM than 2 and 3.