Liu JiaRui, Li DongFei, Zhai NaiCui, Yuan Long E, Zhou Mi
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Changchun 130103, Jilin Province, People's Republic of China.
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Changchun 130103, Jilin Province, People's Republic of China; College of Physics, Changchun Normal University, Changchun 130032, Jilin Province, People's Republic of China.
Spectrochim Acta A Mol Biomol Spectrosc. 2024 Oct 15;319:124525. doi: 10.1016/j.saa.2024.124525. Epub 2024 May 28.
In this study, we have investigated the structural stability of terephthalamide (TPA) crystal at pressure from ambient to 15 GPa in the diamond anvil cell at room temperature by Raman spectroscopy. Assignment for the Raman vibration modes of TPA crystal at ambient conditions has been performed based on the density functional theory (DFT) calculations. Pressure-induced structural transition was monitored using in-situ Raman spectroscopy. Remarkable changes (including the appearance of new Raman peaks, disappearance of original Raman bands, discontinuous changes in the pressure dependence of some Raman wavenumbers at different pressures) in Raman spectra were observed at approximately 1.3 and 5.2 GPa, provided clear evidences for two pressure-induced phase transitions: phase I to phase II at ∼1.3 GPa, phase II to phase III at ∼5.2 GPa.
在本研究中，我们在室温下利用金刚石对顶砧在15吉帕的压力范围内，通过拉曼光谱研究了对苯二甲酰胺（TPA）晶体的结构稳定性。基于密度泛函理论（DFT）计算，对TPA晶体在环境条件下的拉曼振动模式进行了归属。使用原位拉曼光谱监测压力诱导的结构转变。在约1.3吉帕和5.2吉帕处观察到拉曼光谱有显著变化（包括出现新的拉曼峰、原始拉曼带消失、不同压力下一些拉曼波数的压力依赖性出现不连续变化），这为两个压力诱导的相变提供了明确证据：在约1.3吉帕时从相I到相II，在约5.2吉帕时从相II到相III。
