Protonation-Induced Slow Magnetic Relaxation of Mononuclear Dy(III) Complexes

IF 3.2 3区化学 Q2 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry C Pub Date : 2025-04-23 DOI:10.1021/acs.jpcc.4c08726

Shiho Ueoka, Mone Kamioka, Haruna Ogawa, Saki Nakanishi, Yoji Horii, Takashi Kajiwara

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Abstract

The development of single-molecule magnets that respond to small modulations of an external field is of interest from two perspectives: understanding the magnetic relaxation mechanism and its application in molecular-based nanodevices. This study discusses the correlation between the coordination structure and magnetic properties, in particular the onset of slow magnetic relaxation, in nona-coordinated Dy(III) complexes with D₃ point group local symmetry [C(NH₂)₃]₃[Dy(pydc)₃] (1) and protonated congeners [Ln(Hpydc)₃]·1.5H₂O (Ln = Dy (2) or Dy_0.07Y_0.93 (3), H₂pydc denotes 2,6-pyridinedicarboxylic acid). Although the coordination geometry of Dy(III) was maintained with or without protonation, 1 showed no slow magnetic relaxation, whereas protonated 2 and 3 exhibited slow magnetic relaxation under the application of an external direct current (DC) field. The drastic change in the magnetic relaxation induced by protonation is discussed in detail based on experiments and theoretical ab initio calculations.

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质子诱导的单核Dy（III）配合物的慢磁弛豫

从理解磁弛豫机制及其在基于分子的纳米器件中的应用这两个角度来看，开发对外部磁场的微小调制做出响应的单分子磁体很有意义。本研究讨论了具有 D3 点群局部对称性的非配位 Dy(III) 复合物[C(NH2)3]3[Dy(pydc)3](1) 和质子化同系物[Ln(Hpydc)3]-1 的配位结构与磁性能之间的相关性，特别是缓慢磁弛豫的开始。5H2O（Ln = Dy (2) 或 Dy0.07Y0.93 (3)，H2pydc 表示 2,6-吡啶二羧酸）。虽然无论质子化与否，Dy(III) 的配位几何都保持不变，但 1 没有显示出缓慢的磁弛豫，而质子化的 2 和 3 在外部直流电场的作用下则显示出缓慢的磁弛豫。根据实验和理论 ab initio 计算，详细讨论了质子化引起的磁性弛豫的急剧变化。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

The Journal of Physical Chemistry C 化学-材料科学：综合

CiteScore

6.50

自引率

8.10%

发文量

2047

审稿时长

1.8 months

期刊介绍： The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.