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Raman spectra of ammonia borane: Low frequency lattice modes

机译:氨硼烷的拉曼光谱:低频晶格模式

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摘要

We have measured the Raman spectrum of ammonia borane at low temperature (T = 15 K) and across the orthorhombic-to-tetragonal phase transition at T = 225 K. A comprehensive study of the low frequency lattice modes using Raman spectroscopy has been carried out. Data analysis has been complemented by a density functional theory calculation of which the results have been used for a detailed assignment of the Raman active modes. The analysis of the spectroscopic measurements taken across the phase transition seems to be consistent with the increasing orientational disorder of the molecular components and seems to be compatible with the equalization of the a and b lattice constants characteristic of the tetragonal phase.
机译:我们已经测量了低温下(T = 15 K)以及在T = 225 K时从正交到四方相变的氨硼烷的拉曼光谱。已经使用拉曼光谱对低频晶格模式进行了全面研究。密度泛函理论计算对数据分析进行了补充,其结果已用于拉曼激活模式的详细分配。跨相变进行的光谱测量分析似乎与分子成分的取向紊乱不断增加相一致,并且似乎与四方相特征的a和b晶格常数均等化是相容的。

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