Interpretation Of THz Intensities Of Molecular Crystals: The Role Of Mixing Between Intermolecular And Intramolecular VibrationsPaper (MM2)
Tue, 10 Nov 2020 03:15pm to 03:30pm
Through a quantitative discussion of THz modes in the racemic and enantiomeric systems of alanine, we have examined the restriction on the THz selection rule imposed by the space-group symmetries of molecular crystals. We have also revealed an essential role of intramolecular vibrations in the low-frequency region, which has been ignored for long. Although the intramolecular vibrations make marginal contributions to the vibrational energies of the low-frequency modes, they are essential to determine the IR intensities.
Authors: Zhang, Feng; Wang, Hong-Wei; Tominaga, Keisuke; Hayashi, Michitoshi; Tani, Masahiko
2Center for Condensed Matter Sciences, National Taiwan University, Center for Condensed Matter Sciences, National Taiwan University, Molecular Photoscience Research Center, Kobe University, Research Center for Development of Far-Infrared Region, University of Fukui