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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Temperature behavior of the AlH3 polymorph by in situ investigation using high resolution Raman scattering
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Temperature behavior of the AlH3 polymorph by in situ investigation using high resolution Raman scattering

机译：使用高分辨率拉曼散射原位研究AlH3多晶型物的温度行为

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摘要

A Raman investigation of the AlH3 polymorph has been carried out at a low temperature (20 K) under helium atmosphere (2 bar). The pristine material was composed of three polymorphs, namely, the α, β, and γ phases. The β phase has been removed by warming the sample to 70 °C, while further heating at 100 °C was used to remove the γ phase. This allowed us to evidence, on a purely experimental basis, the characteristic Raman spectrum for each phase. Raman spectra, for the three phases, have been also calculated using density functional theory, and the results have been compared to the present experimental data, allowing for a univocal assignment, to each phase, of its characteristic spectral features.
机译：AlH3多晶型物的拉曼光谱研究是在低温（20 K）和氦气气氛（2 bar）下进行的。原始材料由三种多晶型物组成，即α，β和γ相。通过将样品加热至70°C去除了β相，同时在100°C下进一步加热去除了γ相。这使我们能够在纯粹的实验基础上证明每个相的特征拉曼光谱。还使用密度泛函理论计算了三个阶段的拉曼光谱，并将结果与​​当前的实验数据进行了比较，从而可以明确地将每个阶段的特征光谱特征分配给每个阶段。

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