Switching on single-molecule magnet properties of homoleptic sandwich tris(pyrazolyl)borate dysprosium(iii) cations via intermolecular dipolar coupling

被引：10
作者：
Alexandropoulos, Dimitris, I [1 ]
Vignesh, Kuduva R. [1 ]
Xie, Haomiao [1 ]
Dunbar, Kim R. [1 ]
机构：
[1] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA
来源：
DALTON TRANSACTIONS | 2019年 / 48卷 / 28期
基金：
美国国家科学基金会;
关键词：
BRIDGING LIGANDS; COMPLEXES; LN; RELAXATION; ANISOTROPY; FIELD; MAGNETIZATION; CHEMISTRY; MECHANISM; IONS;
D O I：
10.1039/c9dt00597h
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Two new homoleptic Dy-III compounds [Dy(Tp(2)(Me))(2)][DyCl3(Tp(2)(Me))]center dot CH2Cl2 (1) and [Dy(Tp(2)(Me))(2)]I (3) as well as a heteroleptic (NMe4)[DyCl3(Tp(2)(Me))] (2) (Tp(2)(Me) = tris(3,5-dimethylpyrazolyl)borate) species are reported. Magnetic studies revealed that 1 is a single-molecule magnet (SMM) with an energy barrier of U-eff = 80.7 K with tau(0) = 6.2 x 10(-7) s under a zero applied field. Compound 3 exhibits a U-eff of 13.5 K with tau(0) = 1.6 x 10(-6) s under a 0.08 T applied field. Ab initio CASSCF + RASSI-SO calculations were performed to further investigate the magnetic behavior of complexes 1-3. The results support experimental magnetic data for 1 and 3 and indicate that an intermolecular dipolar interaction of (zJ = -0.1 cm(-1)) is responsible for the SMM behavior of 1.
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收藏
页码：10610 / 10618
页数：9
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