Abstract
The dehydration process involves the dissociation and reorganization of hydrogen bonds, and for the characterization of the dehydration process of amino acid-based hydrates, the analysis of their molecular vibrational modes and hydrogen bonds is still challenging nowadays. In this paper, the dynamic process of the dehydration of DL-glutamic acid monohydrate was monitored using terahertz spectroscopy. Quantitative simulations were performed on DL-glutamic acid and its monohydrate, with vibrational mode assignments and hydrogen bonding network analysis based on Density Functional Theory (DFT) for terahertz absorption peaks. The results show that the hydrogen bond stretching vibration is intermixed with atomic vibration. Specifically, the intermolecular hydrogen bond O4-H9···O2 of DL-glutamic acid exhibits a stronger vibration at 2.43 THz. Furthermore, the intramolecular hydrogen bond O5-H11···O4 in DL-glutamic acid monohydrate shows significant changes in bond length and bond angle at 1.85 THz. These findings validate the effectiveness of terahertz spectroscopy in monitoring the transformation process of the hydrate and the analysis of the hydrogen bond.
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