通过拉曼散射、红外吸收和同步辐射 X 射线衍射对 Mn2(C2H6N6)4(NO3)4-2H2O 进行高压研究

IF 2.4 3区 化学 Q2 SPECTROSCOPY Journal of Raman Spectroscopy Pub Date : 2024-05-12 DOI:10.1002/jrs.6681
Jie Ding, Jianguo Zhang, Zhongze Pu, Junru Jiang, Zhijun He, Jian Wang, Hongyang Zhu
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引用次数: 0

摘要

Mn2(C2H6N6)4(NO3)4-2H2O(锰)作为高能配位配合物之一被选作高压研究对象。在这项工作中,利用原位拉曼散射、红外吸收和同步辐射角散 X 射线衍射 (ADXRD) 技术分析了室温下高达 ~20 GPa 的锰。根据实验结果,全面解析了锰在常压下的振动模式。详细的光谱分析显示,锰分别在 0.5、2.5 和 5.7 GPa 压力下发生了三次压力诱导的相变。在拉曼光谱和红外光谱分析中,ADXRD 实验证实了这三个相变的存在。根据振动光谱分析和压力下晶格参数的变化,可以认为 3-肼基-4-氨基-1,2,4-三唑(HATr)配体的变形导致了第一次相变,三唑环的变形诱发了第二次相变,氢键的重新排列导致了第三次相变。此外,从拉曼光谱和 ADXRD 数据可以推断,锰可能在第一相变过程中发生了异常膨胀。这项研究为进一步研究压力下高能配位复合物的结构和性质奠定了基础。
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High-pressure studies of Mn2(C2H6N6)4(NO3)4·2H2O by Raman scattering, infrared absorption, and synchrotron X-ray diffraction

Mn2(C2H6N6)4(NO3)4·2H2O (Mn) as one of the energetic coordination complexes was chosen for high-pressure research. In this work, Mn was analyzed by in situ Raman scattering, infrared absorption, and synchrotron angle-dispersive X-ray diffraction (ADXRD) technologies up to ~20 GPa at room temperature. The vibrational modes of Mn at ambient pressure were comprehensively resolved based on the experimental results. Detailed spectral analyses revealed that Mn underwent three pressure-induced phase transitions at 0.5, 2.5, and 5.7 GPa, respectively. ADXRD experiments confirmed the existence of these three phase transitions in Raman and infrared spectra analyses. Based on the analysis of the vibrational spectra and the changes of lattice parameters under pressure, it can be considered that the deformation of the 3-hydrazino-4-amino-1, 2, 4-triazole (HATr) ligand led to the first phase transition, and the distortion of the triazole ring induced the second phase transition, and the rearrangement of the hydrogen bonds resulted in the third phase transition. In addition, it can be inferred from Raman spectra and ADXRD data that Mn may have experienced the abnormal expansion during the first phase transition. This work may lay the foundation for further investigating the structure and properties of energetic coordination complexes under pressure.

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来源期刊
CiteScore
5.40
自引率
8.00%
发文量
185
审稿时长
3.0 months
期刊介绍: The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications. Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.
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