Magnetic behavior of the novel pentagonal-bipyramidal erbium(III) complex (Et3NH)[Er(H2DAPS)Cl2]: high-frequency EPR study and crystal-field analysis.
Magnetic behavior of the novel pentagonal-bipyramidal erbium(III) complex (Et3NH)[Er(H2DAPS)Cl2]: high-frequency EPR study and crystal-field analysis.
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新型五角双锥铒(III)络合物(Et3NH)[Er(H2DAPS)Cl2]的磁性行为：高频EPR研究和晶体场分析
DOI：
10.1039/d1dt03228c
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发表时间：
2021
影响因子：
4
通讯作者：
R. Klingeler
中科院分区：
文献类型：
--
作者：
L. Spillecke;C. Koo;O. Maximova;V. S. Mironov;V. A. Kopotkov;D. V. Korchagin;A. N. Vasiliev;E. B. Yagubskii;R. Klingeler
我们报告了新型七配位单核铒 (III) 配合物 (Et3NH)[Er(H2DAPS)Cl2] (H4DAPS = 2,6-二乙酰吡啶双-(水杨基腙)) (1) 的合成、晶体结构和磁性。 Er(III)离子周围的配位多面体具有稍微扭曲的五角双锥体，该五角双锥体由赤道平面中的H2DAPS配体的五角N3O2螯合环和两个顶端氯配体形成。详细的高频/高场电子顺磁共振 (HF-EPR) 研究 1 可精确测定 Er(III) 离子的晶体场 (CF) 分裂能（0、290 和 460 GHz）和三个最低克莱默双峰 (KD) 的有效 g 值。获得的 HF-EPR 数据与基于 1 的直流磁数据模拟的 Er(III) 离子 CF 分析结果非常一致。动态磁化率测量结果表明不存在磁化行为的缓慢弛豫。这一观察结果是根据实验和理论结果获得的 1 的电子结构进行讨论的。
We report the synthesis, crystal structure and magnetic properties of the new heptacoordinated mononuclear erbium(III) complex (Et3NH)[Er(H2DAPS)Cl2] (H4DAPS = 2,6-diacetylpyridine bis-(salicylhydrazone)) (1). The coordination polyhedron around the Er(III) ion features a slightly distorted pentagonal bipyramid formed by the pentagonal N3O2 chelate ring of the H2DAPS ligand in the equatorial plane and two apical chloride ligands. Detailed high-frequency/high-field electron paramagnetic resonance (HF-EPR) studies of 1 result in the precise determination of the crystal field (CF) splitting energies (0, 290 and 460 GHz) and effective g-values of the three lowest Kramers doublets (KDs) of the Er(III) ion. The obtained HF-EPR data are in good agreement with the results from CF analysis for the Er(III) ion based on the simulation of the dc magnetic data of 1. The results from dynamic susceptibility measurements indicate that there is no slow relaxation of magnetisation behaviour. This observation is discussed in terms of the electronic structure of 1 obtained from experimental and theoretical results.