Journal
CELL REPORTS PHYSICAL SCIENCE
Volume 3, Issue 8, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.xcrp.2022.100988
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Funding
- Condensed Phase and Interfacial Molecular Science (CPIMS) Program in the Chemical Sciences Geoscien- ces and Biosciences Division of the Office of Basic Energy Sciences of the US Depart- ment of Energy [DE-AC02-05CH11231]
- Laboratory Directed Research and Development Program (LDRD) at Lawrence Berkeley National Laboratory [DE- AC02-05CH11231]
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Understanding phase changes in hydrogen-bonded solid-state systems is crucial for thermal science and medical therapeutics. Different spectroscopic techniques can provide a detailed molecular picture of these changes in polyols and other substances.
A molecular-level understanding of phase changes in hydrogen-bonded solid-state systems is of great importance in fields spanning thermal science to medical therapeutics. Polyols have recently emerged as prime targets for deployment, given their versatility in phase-induced changes, and occupy a deep space in eutectic solvents. Here, we explore the hydrogen-bond network of neopentyl glycol (NPG) with terahertz time-domain spectroscopy, attenuated total reflection spectroscopy in the far- and mid-infrared regions augmented by electronic structure calculations. A picture emerges where vibrational spectroscopy can exquisitely probe a crystalline to amorphous solid-solid phase transition while spectroscopy in the mid-infrared region provides a molecular picture of the phase transition. These methods are then applied to understand the thermal properties and phase changes in NPG upon incorporation of bis(trifluoromethane)-sulfonimide lithium salt, to demonstrate that vibrational spectroscopy can directly probe the disruption of hydrogen-bond networks in plastic crystals.
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