Exploring the Structural Phase Transition, Dielectric Response, and Magnetic Properties of a New Isothiocyanate-Based Dinuclear Manganese Compound

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2025-05-06 DOI:10.1021/acs.cgd.5c0042910.1021/acs.cgd.5c00429

Kai-Ping Xie*, Wei-Ding Fan, Jin Wang, Jiong Yang, Zhi-Zhen Peng, Yan Shi, Zicheng Xiao, Yu-Bo Zou, Yi-Fei Deng* and Wei-Jian Xu*,

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引用次数: 0

Abstract

The development of novel multifunctional organic–inorganic hybrid materials incorporating isothiocyanate ligands represents an ongoing challenge in chemistry and materials science. In this study, we successfully constructed a dinuclear manganese compound, [(CH₃)₃S]₅[Mn₂(SCN)₉]. This compound exhibits a remarkable order–disorder transition of the isothiocyanate ligands and (CH₃)₃S⁺ cations, which drives reversible structural phase transitions (SPTs) with a critical temperature (T_c) of 206 K. Simultaneously, striking step-like anomalies are observed in the dielectric constant. Magnetic investigations reveal antiferromagnetic interactions between the dinuclear Mn²⁺ ions (J = −6.11 cm^–1). These findings provide new theoretical foundations for designing multifunctional materials with tunable dielectric properties.

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一种新型异硫氰酸盐基双核锰化合物的结构、相变、介电响应和磁性研究

结合异硫氰酸酯配体的新型多功能有机-无机杂化材料的开发是化学和材料科学领域的一个持续挑战。在本研究中，我们成功构建了一个双核锰化合物[(CH3)3S]5[Mn2(SCN)9]。该化合物表现出异硫氰酸酯配体和（CH3）3S+阳离子明显的有序-无序转变，驱动可逆结构相变（SPTs），临界温度（Tc）为206 K。同时，在介电常数中观察到惊人的阶梯状异常。磁性研究揭示了双核Mn2+离子之间的反铁磁相互作用（J = - 6.11 cm-1）。这些发现为设计具有可调介电性能的多功能材料提供了新的理论基础。

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

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.