Magnetic Anisotropy and Field-induced Slow Relaxation of Magnetization in Tetracoordinate CoII Compound [Co(CH3-im)2Cl2]

被引：34

作者：

Nemec, Ivan ^{[1
]}

Herchel, Radovan ^{[1
]}

Kern, Michal ^{[2
]}

Neugebauer, Petr ^{[2
]}

van Slageren, Joris ^{[2
]}

Travnicek, Zdenek ^{[1
]}

机构：

[1] Palacky Univ, Dept Inorgan Chem, Reg Ctr Adv Technol & Mat, Fac Sci, 17 Listopadu 12, CZ-77146 Olomouc, Czech Republic

[2] Univ Stuttgart, Inst Phys Chem, Pfaffenwaldring 55, D-70569 Stuttgart, Germany

来源：

MATERIALS | 2017年 / 10卷 / 03期

关键词：

slow-relaxation of magnetization; tetracoordinate Co-II; single ion magnet; magnetic anisotropy; SINGLE-MOLECULE MAGNET; CO(II) COMPLEXES; ION-MAGNET; PENTACOORDINATE; APPROXIMATION; LIGANDS;

D O I：

10.3390/ma10030249

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Static and dynamic magnetic properties of the tetracoordinate Co-II complex [Co(CH3-im)(2)Cl-2], ( 1, CH3-im = N-methyl-imidazole), studied using thorough analyses of magnetometry, and High-Frequency and -Field EPR (HFEPR) measurements, are reported. The study was supported by ab initio complete active space self-consistent field (CASSCF) calculations. It has been revealed that 1 possesses a large magnetic anisotropy with a large rhombicity (magnetometry: D = -13.5 cm(-1), E/D = 0.33; HFEPR: D = 14.5(1) cm(-1), E/D = 0.16(1)). These experimental results agree well with the theoretical calculations (D = -11.2 cm(-1), E/D = 0.18). Furthermore, it has been revealed that 1 behaves as a field-induced single-ion magnet with a relatively large spin-reversal barrier (U-eff = 33.5 K). The influence of the Cl-Co-Cl angle on magnetic anisotropy parameters was evaluated using the CASSCF calculations.

引用

页数：14

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