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Title: | On the influence of water on THz vibrational spectral features of molecular crystals | Authors: | Mitryukovskiy, Sergey VANPOUCKE, Danny E.P. Hannotte, Theo Lavancier, Melanie Hourlier, Djamila Roos, Goedele Peretti, Romain |
Issue Date: | 2022 | Publisher: | IEEE | Source: | 2022 47TH INTERNATIONAL CONFERENCE ON INFRARED, MILLIMETER AND TERAHERTZ WAVES (IRMMW-THZ 2022), IEEE, | Series/Report: | International Conference on Infrared Millimeter and Terahertz Waves | Abstract: | The collective vibrations in molecular crystals can be probed using terahertz spectroscopy, providing unique characteristic spectral fingerprints. However, the association of the spectral features to the crystal conformation, crystal phase and its environment is a difficult task. We present a combined computational-experimental study on the incorporation of water in lactose molecular crystals, and show how simulations can be used to associate spectral features in the THz region to crystal conformations and phases. Furthermore, we also show that water does not play only a perturbative role but fully participates in the emergence of the THz vibrations | Notes: | Peretti, R (corresponding author), Univ Lille, CNRS, Inst Elect Microelect & Nanotechnol, F-59652 Villeneuve Dascq, France. romain.peretti@univ-lille.fr |
Keywords: | Molecular Conformation;Water;Terahertz Spectroscopy;Vibration | Document URI: | http://hdl.handle.net/1942/39003 | ISBN: | 978-1-7281-9427-1 | DOI: | 10.1109/IRMMW-THz50927.2022.9896035 | ISI #: | 000865953000517 | Rights: | 2022 IEEE | Category: | C1 | Type: | Proceedings Paper | Validations: | ecoom 2023 |
Appears in Collections: | Research publications |
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On the influence of water on THz vibrational spectral features of molecular crystals.pdf Restricted Access | Published version | 275.06 kB | Adobe PDF | View/Open Request a copy |
On the influence of water on THz vibrational spectral features of molecular crystals.pdf | Peer-reviewed author version | 215.81 kB | Adobe PDF | View/Open |
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