Structure, luminescence and magnetic properties of an erbium(III) β-diketonate homodinuclear complex

被引：16
作者：
Martin-Ramos, P. [1 ,2 ]
Pereira, L. C. J. [3 ]
Coutinho, J. T. [3 ]
Koprowiak, F. [4 ]
Bolvin, H. [4 ]
Lavin, V. [5 ,6 ]
Martin, I. R. [5 ,6 ]
Martin-Gil, J. [7 ]
Ramos Silva, M. [2 ]
机构：
[1] Univ Zaragoza, EPSH, Carretera Cuarte S-N, Huesca 22071, Spain
[2] Univ Coimbra, Dept Phys, CFisUC, Rua Larga, P-3004516 Coimbra, Portugal
[3] Univ Lisbon, Inst Super Tecn, DECN, C2TN, P-2695066 Bobadela Lrs, Portugal
[4] Univ Toulouse 3, Lab Chim & Phys Quant, 118 Route Narbonne, F-31062 Toulouse, France
[5] Univ La Laguna, Dept Fis, E-38206 San Cristobal Laguna, Santa Cruz De T, Spain
[6] Univ La Laguna, MALTA Consolider Team, E-38206 San Cristobal Laguna, Santa Cruz De T, Spain
[7] Univ Valladolid, Adv Mat Lab, ETSIIAA, Ave Madrid 44, Palencia 34004, Spain
来源：
NEW JOURNAL OF CHEMISTRY | 2016年 / 40卷 / 10期
关键词：
SINGLE-MOLECULE MAGNET; LANTHANIDE(III) COMPLEXES; HETEROMETALLIC COMPLEXES; SPECTROSCOPIC ANALYSIS; CRYSTAL-STRUCTURES; EXTENDED SERIES; ION MAGNET; X-RAY; DINUCLEAR; RELAXATION;
D O I：
10.1039/c6nj01598k
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The photoluminescence properties and field-induced single-molecule-magnetic behavior of a novel erbium(III) beta-diketonate homodinuclear complex, [Er-2(nd)(6)(mu-bpm)] (nd = 2,4-nonanedione and bpm = 2,2'-bipyrimidine), are presented. On the basis of structural data, ab initio calculations using the SO-CASSCF method have been performed so as to gain insight into the spin-relaxation mechanism, giving evidence of the nature of the m(J) ground state and the orientation of the related magnetic anisotropy axis. The overlap integrals between the natural spin orbitals (NSOs) of the mononuclear fragments, related to the magnitude of the antiferromagnetic exchange, show that the two fragments have no magnetic interaction.
引用
收藏
页码：8251 / 8261
页数：11
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