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

页码：5896 / 5898

页数：3

共 28 条

[1] Continuous symmetry maps and shape classification. The case of six-coordinated metal compounds
Alvarez, S
Avnir, D
Llunell, M
Pinsky, M
[J]. NEW JOURNAL OF CHEMISTRY, 2002, 26 (08) : 996 - 1009
[2] Third-order multireference perturbation theory:: The n-electron valence state perturbation-theory approach -: art. no. 054108
Angeli, C
Bories, B
Cavallini, A
Cimiraglia, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (05)
[3] A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach
Angeli, C
Borini, S
Cestari, M
Cimiraglia, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (09) : 4043 - 4049
[4] Introduction of n-electron valence states for multireference perturbation theory
Angeli, C
Cimiraglia, R
Evangelisti, S
Leininger, T
Malrieu, JP
[J]. JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (23) : 10252 - 10264
[5] n-electron valence state perturbation theory:: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants
Angeli, C
Cimiraglia, R
Malrieu, JP
[J]. JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (20) : 9138 - 9153
[6] N-electron valence state perturbation theory:: a fast implementation of the strongly contracted variant
Angeli, C
Cimiraglia, R
Malrieu, JP
[J]. CHEMICAL PHYSICS LETTERS, 2001, 350 (3-4) : 297 - 305
[7] Boca R., 1999, Theoretical Foundations of Molecular Magnetism
[8] Slow Magnetic Relaxation in a CoII-YIII Single-Ion Magnet with Positive Axial Zero-Field Splitting
Colacio, Enrique
Ruiz, Jose
Ruiz, Eliseo
Cremades, Eduard
Krzystek, J.
Carretta, Stefano
Cano, Joan
Guidi, Tatiana
Wernsdorfer, Wolfgang
Brechin, Euan K.
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2013, 52 (35) : 9130 - 9134
[9] First-principles calculations of zero-field splitting parameters
Ganyushin, Dmitry
Neese, Frank
[J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (02)
[10] Gatteschi D, 2006, MESOSCOPIC PHYS NANO, P1

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