Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ( IF 4.3 ) Pub Date : 2020-07-02 , DOI: 10.1016/j.saa.2020.118661 R Hinojosa-Nava 1 , E V Mejía-Uriarte 1 , R Y Sato-Berrú 1
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The structural change by temperature of the ammonia borane has been studied through Raman spectroscopy and principal components analysis (PCA). Its phase transition, from tetragonal to orthorhombic, was observed at 212 K. In addition, between 99 and 83 K, a zone of structural stability was observed. These behaviors could be observed thanks to the application of the PCA technique to the Raman data. Here, we can find a characteristic Raman signal which can also be associated with the orthorhombic structure. Also using the PCA technique, we have observed two Raman bands in the low frequency region, below 100 cm−1, which could be associated with the lattice vibrational contribution.
中文翻译：
通过高分辨率拉曼光谱和主成分分析对氨硼烷的结构进行温度研究。
通过拉曼光谱和主成分分析（PCA）研究了氨硼烷随温度的结构变化。在212 K下观察到其从四方晶系到正交晶系的相变。此外，在99 K和83 K之间，观察到结构稳定区。通过将PCA技术应用于拉曼数据，可以观察到这些行为。在这里，我们可以找到特征拉曼信号，该信号也可以与正交结构相关联。同样使用PCA技术，我们已经在100 cm -1以下的低频区域观察到两个拉曼频带，这可能与晶格振动贡献有关。
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