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Through a quantitative discussion of THz modes in the racemic and enantiomeric crystals of alanine, we have examined the restriction on the THz selection rule imposed by the space-group symmetries. We have also revealed an essential role played by intramolecular vibrations in determining the IR intensities of THz modes in the low-frequency region. Although the intramolecular vibrations make marginal contributions to the vibrational energies of the low-frequency modes, they are crucial to the generation of transition moments.
F. Zhang,H.-W. Wang,K. Tominaga,M. Hayashi, andMasahiko Tani
"Interpretation of THz intensities of molecular crystals: the role of mixing between intermolecular and intramolecular vibrations", Proc. SPIE 11559, Infrared, Millimeter-Wave, and Terahertz Technologies VII, 115590A (10 October 2020); https://doi.org/10.1117/12.2575351
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F. Zhang, H.-W. Wang, K. Tominaga, M. Hayashi, Masahiko Tani, "Interpretation of THz intensities of molecular crystals: the role of mixing between intermolecular and intramolecular vibrations," Proc. SPIE 11559, Infrared, Millimeter-Wave, and Terahertz Technologies VII, 115590A (10 October 2020); https://doi.org/10.1117/12.2575351