Slow Magnetic Relaxation in Octahedral Cobalt(II) Field-Induced Single-Ion Magnet with Positive Axial and Large Rhombic Anisotropy

被引：222
|
作者：
Herchel, Radovan [1 ]
Vahovska, Lucia [2 ]
Potocnak, Ivan [2 ]
Travnicek, Zdenek [1 ]
机构：
[1] Palacky Univ, Fac Sci, Dept Inorgan Chem, Reg Ctr Adv Technol & Mat, CZ-77146 Olomouc, Czech Republic
[2] Safarik Univ, Dept Inorgan Chem, Inst Chem, SK-04154 Kosice, Slovakia
来源：
INORGANIC CHEMISTRY | 2014年 / 53卷 / 12期
关键词：
STATE PERTURBATION-THEORY; ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; ATOMS LI; IMPLEMENTATION; FORMULATION; EFFICIENT; COMPLEX;
D O I：
10.1021/ic500916u
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Pseudooctahedral mononuclear cobat(II) complex [Co(abt)(2)(tcm)(2)] (1), where abpt = 4-amino3,5-bis(2-pyridyl)-1,2,4-triazole and tcm = tricyanomethanide anion, shows field-induced slow relaxation of magnetization with U = 86.2 K and large axial and rhombic single-ion zero-field-splitting parameters, D = +48(2) cm(-1) and E/D = 0.27(2) (D = +53.7 cm(-1) and E/D = 0.29 from ab initio CASSCF/NEVPT2 calculations), thus presenting a new example of a field-induced single-ion magnet with transversal magnetic anisotropy.
引用
收藏
页码：5896 / 5898
页数：3
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