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A Comparative Study of the Low-Frequency Vibrations of L-Histidine Molecule in Different Solid States

Li Xu, Yin Li, Qi Zhou, Xiaohua Deng

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Jan 5;224:117468.

PMID: 31425861

Abstract:

Low-frequency vibrations of l-histidine in a neat solid state and its monohydrochloride monohydrate are both investigated using THz spectroscopy and DFT calculations. The molecular motions in those modes are further quantitatively decomposed into a number of submotions and discussed in terms of their contributions to a mode. The results show significant differences in the averaged contribution percentage of intermolecular motions and the dihedral angle distortions of the imidazole ring between these two crystals. Those phenomena are interpreted from the viewpoint of their hydrogen-bond configurations.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP5934292 L-Histidine monohydrochloride monohydrate L-Histidine monohydrochloride monohydrate 5934-29-2 Price
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