{"title":"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","authors":"Jie Ding, Jianguo Zhang, Zhongze Pu, Junru Jiang, Zhijun He, Jian Wang, Hongyang Zhu","doi":"10.1002/jrs.6681","DOIUrl":null,"url":null,"abstract":"<p>Mn<sub>2</sub>(C<sub>2</sub>H<sub>6</sub>N<sub>6</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>·2H<sub>2</sub>O (<b>Mn</b>) as one of the energetic coordination complexes was chosen for high-pressure research. In this work, <b>Mn</b> 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 <b>Mn</b> at ambient pressure were comprehensively resolved based on the experimental results. Detailed spectral analyses revealed that <b>Mn</b> 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 <b>Mn</b> 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.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2024-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"High-pressure studies of Mn2(C2H6N6)4(NO3)4·2H2O by Raman scattering, infrared absorption, and synchrotron X-ray diffraction\",\"authors\":\"Jie Ding, Jianguo Zhang, Zhongze Pu, Junru Jiang, Zhijun He, Jian Wang, Hongyang Zhu\",\"doi\":\"10.1002/jrs.6681\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Mn<sub>2</sub>(C<sub>2</sub>H<sub>6</sub>N<sub>6</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>·2H<sub>2</sub>O (<b>Mn</b>) as one of the energetic coordination complexes was chosen for high-pressure research. In this work, <b>Mn</b> 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 <b>Mn</b> at ambient pressure were comprehensively resolved based on the experimental results. Detailed spectral analyses revealed that <b>Mn</b> 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 <b>Mn</b> 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.</p>\",\"PeriodicalId\":16926,\"journal\":{\"name\":\"Journal of Raman Spectroscopy\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-05-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Raman Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6681\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Raman Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6681","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
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.
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.