Burnett, A.D. orcid.org/0000-0003-2175-1893, Towler, C.N. and Kendrick, J. (2023) Probing How Dynamics, Disorder and Temperature Influence the Vibrational Spectra of Molecular Crystals. In: Proceedings of the 48th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz). 48th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz), 17-22 Sep 2023, Montreal, Canada. IEEE ISBN 979-8-3503-3661-0
Abstract
It has long been known that THz spectra of molecular crystals is very sensitive to the long-range structure of these materials. Here using a combination of measurement and calculations based on Density Functional Theory we explore how spectra of these materials are influenced by temperature, molecular dynamics and disorder within the crystalline environment, and in many cases, how these effects are crucial to spectral interpretation.
Metadata
Item Type: | Proceedings Paper |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | This is an author produced version of a conference abstract accepted for publication in Proceedings of the 48th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz), made available under the terms of the Creative Commons Attribution License (CC-BY), which permits unrestricted use, distribution and reproduction in any medium, provided the original work is properly cited. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Physical Chemistry (Leeds) |
Funding Information: | Funder Grant number EPSRC (Engineering and Physical Sciences Research Council) EP/P007449/1 |
Depositing User: | Symplectic Publications |
Date Deposited: | 18 Sep 2023 10:46 |
Last Modified: | 01 Dec 2023 14:31 |
Published Version: | https://ieeexplore.ieee.org/document/10299224 |
Status: | Published |
Publisher: | IEEE |
Identification Number: | 10.1109/IRMMW-THz57677.2023.10299224 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:203408 |