2021
DOI: 10.1021/acs.jpca.0c09756
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Temperature-Dependent Low-Frequency Vibrations of Thiamine Crystal Containing Hydrated Ions

Abstract: Low-frequency vibrations of crystalline molecules are very sensitive to the local environment in which the molecules, for example, hydrated ions captured in crystals, find themselves. We present lowtemperature X-ray crystallographic measurements on the harvested thiamine crystal containing hydrated ions and its temperature-dependent terahertz spectra and synchrotron infrared microspectra. It is found from the X-ray structure that the hydrated ions and hydration water are in a similar environment to liquid, alt… Show more

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Cited by 6 publications
(4 citation statements)
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“…Terahertz waves, with a frequency range of 0.1-10 THz, are electromagnetic waves between microwaves and infrared waves. [22][23][24][25] Terahertz spectroscopy is emerging as a powerful technique that can offer essential structural and dynamical information 26,27 due to its sensitivity to low-frequency intermolecular and intramolecular vibrational modes in organic molecules. [28][29][30][31][32][33] Terahertz spectroscopy is expected to provide insight into conformational dynamics and be used to analyse the structural changes of oligopeptides in silk.…”
Section: Introductionmentioning
confidence: 99%
“…Terahertz waves, with a frequency range of 0.1-10 THz, are electromagnetic waves between microwaves and infrared waves. [22][23][24][25] Terahertz spectroscopy is emerging as a powerful technique that can offer essential structural and dynamical information 26,27 due to its sensitivity to low-frequency intermolecular and intramolecular vibrational modes in organic molecules. [28][29][30][31][32][33] Terahertz spectroscopy is expected to provide insight into conformational dynamics and be used to analyse the structural changes of oligopeptides in silk.…”
Section: Introductionmentioning
confidence: 99%
“…Low-frequency vibrations in the THz and FIR regions are very sensitive to the local environment in which the molecule resides 21 . Over the last two decades, THz spectroscopy has become an increasingly popular technique [22][23][24] and has probed the properties of a vast range of materials and compounds 19,21,[25][26][27][28][29][30][31][32][33][34][35][36][37][38] .…”
mentioning
confidence: 99%
“…Low-frequency vibrations in the THz and FIR regions are very sensitive to the local environment in which the molecule resides 21 . Over the last two decades, THz spectroscopy has become an increasingly popular technique [22][23][24] and has probed the properties of a vast range of materials and compounds 19,21,[25][26][27][28][29][30][31][32][33][34][35][36][37][38] . Due to advances in theoretical methods, the effect of the environment of each molecule in a crystal on low-frequency vibrations has been examined very accurately using solid-state first-principles calculations 21,26 .…”
mentioning
confidence: 99%
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