Playing with Magnetic Anisotropy in Hexacoordinated Mononuclear Ni(II) Complexes, An Interplay Between Symmetry and Geometry

被引：12
|
作者：
Suaud, Nicolas [1 ]
Rogez, Guillaume [2 ]
Rebilly, Jean-Noel [3 ]
Bouammali, Mohammed-Amine [1 ]
Guihery, Nathalie [1 ]
Barra, Anne-Laure [4 ]
Mallah, Talal [3 ]
机构：
[1] Univ Toulouse III, Lab Chim & Phys Quant, 118,Route Narbonne, F-31062 Toulouse, France
[2] IPCMS GMI, UMR CNRS 7504, 23,Rue Loess,BP 43, F-67034 Strasbourg 2, France
[3] Univ Paris Saclay, Inst Chim Mol & Mat Orsay, CNRS, F-91405 Orsay, France
[4] Univ Grenoble Alpes, UPR CNRS 3228, Lab Natl Champs Magnet Intenses, 25,Ave Martyrs,BP 166, F-38042 Grenoble 9, France
来源：
APPLIED MAGNETIC RESONANCE | 2020年 / 51卷 / 11期
关键词：
ELECTRON-PARAMAGNETIC-RESONANCE; STATE PERTURBATION-THEORY; PENTACOORDINATE NI-II; ISING-TYPE ANISOTROPY; EPR SPECTROSCOPY; METAL-COMPLEXES; HIGH-FREQUENCY; NICKEL(II); IMPLEMENTATION; SPECTRA;
D O I：
10.1007/s00723-020-01228-8
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
The magnetic anisotropy parameters of a hexacoordinate trigonally elongated Ni(II) complex with symmetry close toD(3d)are measured using field-dependent magnetization and High-Field and High-Frequency EPR spectroscopy (D = + 2.95 cm(-1), |E/D| = 0.08 from EPR). Wave function based theoretical calculations reproduce fairly well the EPR experimental data and allows analysing the origin of the magnetic anisotropy of the complex. Calculations on model complexes allows getting insight into the origin of the large increase in the axial magnetic anisotropy (D) when the complex is brought to a prismatic geometry with a symmetry close toD(3h).
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收藏
页码：1215 / 1231
页数：17
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